N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[[5-[3-[(1S)-2-(methylamino)-2-oxo-1-[[5-(5-phenylmethoxy-2-pyridinyl)furan-2-carbonyl]amino]ethyl]cyclohexyl]-3-pyridinyl]methoxy]-2-pyridinyl]furan-2-carboxamide

C51H55N7O8 — CID 143994786

IUPACN-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[[5-[3-[(1S)-2-(methylamino)-2-oxo-1-[[5-(5-phenylmethoxy-2-pyridinyl)furan-2-carbonyl]amino]ethyl]cyclohexyl]-3-pyridinyl]methoxy]-2-pyridinyl]furan-2-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(OCc3cncc(C4CCCC([C@H](NC(=O)c5ccc(-c6ccc(OCc7ccccc7)cn6)o5)C(=O)NC)C4)c3)cn2)o1)C1CCCCC1
InChIInChI=1S/C51H55N7O8/c1-52-50(61)46(34-12-7-4-8-13-34)57-48(59)44-22-20-42(65-44)41-19-17-39(29-56-41)64-31-33-24-37(27-54-26-33)35-14-9-15-36(25-35)47(51(62)53-2)58-49(60)45-23-21-43(66-45)40-18-16-38(28-55-40)63-30-32-10-5-3-6-11-32/h3,5-6,10-11,16-24,26-29,34-36,46-47H,4,7-9,12-15,25,30-31H2,1-2H3,(H,52,61)(H,53,62)(H,57,59)(H,58,60)/t35?,36?,46-,47-/m0/s1
InChIKeyYVGLILKBEYTZPM-SNBBBWCRSA-N
MW894.04 g/mol
LogP7.79
Rot. Bonds17

About N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[[5-[3-[(1S)-2-(methylamino)-2-oxo-1-[[5-(5-phenylmethoxy-2-pyridinyl)furan-2-carbonyl]amino]ethyl]cyclohexyl]-3-pyridinyl]methoxy]-2-pyridinyl]furan-2-carboxamide

N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[[5-[3-[(1S)-2-(methylamino)-2-oxo-1-[[5-(5-phenylmethoxy-2-pyridinyl)furan-2-carbonyl]amino]ethyl]cyclohexyl]-3-pyridinyl]methoxy]-2-pyridinyl]furan-2-carboxamide (PubChem CID 143994786) has the molecular formula C51H55N7O8 and a molecular weight of 894.04 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[[5-[3-[(1S)-2-(methylamino)-2-oxo-1-[[5-(5-phenylmethoxy-2-pyridinyl)furan-2-carbonyl]amino]ethyl]cyclohexyl]-3-pyridinyl]methoxy]-2-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[[5-[3-[(1S)-2-(methylamino)-2-oxo-1-[[5-(5-phenylmethoxy-2-pyridinyl)furan-2-carbonyl]amino]ethyl]cyclohexyl]-3-pyridinyl]methoxy]-2-pyridinyl]furan-2-carboxamide
PubChem CID143994786
Molecular FormulaC51H55N7O8
Molecular Weight894.04 g/mol
Exact Mass893.41
IUPAC NameN-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[[5-[3-[(1S)-2-(methylamino)-2-oxo-1-[[5-(5-phenylmethoxy-2-pyridinyl)furan-2-carbonyl]amino]ethyl]cyclohexyl]-3-pyridinyl]methoxy]-2-pyridinyl]furan-2-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(OCc3cncc(C4CCCC([C@H](NC(=O)c5ccc(-c6ccc(OCc7ccccc7)cn6)o5)C(=O)NC)C4)c3)cn2)o1)C1CCCCC1
InChIInChI=1S/C51H55N7O8/c1-52-50(61)46(34-12-7-4-8-13-34)57-48(59)44-22-20-42(65-44)41-19-17-39(29-56-41)64-31-33-24-37(27-54-26-33)35-14-9-15-36(25-35)47(51(62)53-2)58-49(60)45-23-21-43(66-45)40-18-16-38(28-55-40)63-30-32-10-5-3-6-11-32/h3,5-6,10-11,16-24,26-29,34-36,46-47H,4,7-9,12-15,25,30-31H2,1-2H3,(H,52,61)(H,53,62)(H,57,59)(H,58,60)/t35?,36?,46-,47-/m0/s1
InChIKeyYVGLILKBEYTZPM-SNBBBWCRSA-N
XLogP7.79
TPSA199.81 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500894.04
LogP ≤ 57.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[[5-[3-[(1S)-2-(methylamino)-2-oxo-1-[[5-(5-phenylmethoxy-2-pyridinyl)furan-2-carbonyl]amino]ethyl]cyclohexyl]-3-pyridinyl]methoxy]-2-pyridinyl]furan-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[[5-[3-[(1S)-2-(methylamino)-2-oxo-1-[[5-(5-phenylmethoxy-2-pyridinyl)furan-2-carbonyl]amino]ethyl]cyclohexyl]-3-pyridinyl]methoxy]-2-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[[5-[3-[(1S)-2-(methylamino)-2-oxo-1-[[5-(5-phenylmethoxy-2-pyridinyl)furan-2-carbonyl]amino]ethyl]cyclohexyl]-3-pyridinyl]methoxy]-2-pyridinyl]furan-2-carboxamide (CID 143994786) is N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[[5-[3-[(1S)-2-(methylamino)-2-oxo-1-[[5-(5-phenylmethoxy-2-pyridinyl)furan-2-carbonyl]amino]ethyl]cyclohexyl]-3-pyridinyl]methoxy]-2-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[[5-[3-[(1S)-2-(methylamino)-2-oxo-1-[[5-(5-phenylmethoxy-2-pyridinyl)furan-2-carbonyl]amino]ethyl]cyclohexyl]-3-pyridinyl]methoxy]-2-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[[5-[3-[(1S)-2-(methylamino)-2-oxo-1-[[5-(5-phenylmethoxy-2-pyridinyl)furan-2-carbonyl]amino]ethyl]cyclohexyl]-3-pyridinyl]methoxy]-2-pyridinyl]furan-2-carboxamide is CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(OCc3cncc(C4CCCC([C@H](NC(=O)c5ccc(-c6ccc(OCc7ccccc7)cn6)o5)C(=O)NC)C4)c3)cn2)o1)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[[5-[3-[(1S)-2-(methylamino)-2-oxo-1-[[5-(5-phenylmethoxy-2-pyridinyl)furan-2-carbonyl]amino]ethyl]cyclohexyl]-3-pyridinyl]methoxy]-2-pyridinyl]furan-2-carboxamide?
The InChIKey is YVGLILKBEYTZPM-SNBBBWCRSA-N. The full InChI is InChI=1S/C51H55N7O8/c1-52-50(61)46(34-12-7-4-8-13-34)57-48(59)44-22-20-42(65-44)41-19-17-39(29-56-41)64-31-33-24-37(27-54-26-33)35-14-9-15-36(25-35)47(51(62)53-2)58-49(60)45-23-21-43(66-45)40-18-16-38(28-55-40)63-30-32-10-5-3-6-11-32/h3,5-6,10-11,16-24,26-29,34-36,46-47H,4,7-9,12-15,25,30-31H2,1-2H3,(H,52,61)(H,53,62)(H,57,59)(H,58,60)/t35?,36?,46-,47-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[[5-[3-[(1S)-2-(methylamino)-2-oxo-1-[[5-(5-phenylmethoxy-2-pyridinyl)furan-2-carbonyl]amino]ethyl]cyclohexyl]-3-pyridinyl]methoxy]-2-pyridinyl]furan-2-carboxamide?
N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[[5-[3-[(1S)-2-(methylamino)-2-oxo-1-[[5-(5-phenylmethoxy-2-pyridinyl)furan-2-carbonyl]amino]ethyl]cyclohexyl]-3-pyridinyl]methoxy]-2-pyridinyl]furan-2-carboxamide has a molecular weight of 894.04 g/mol, XLogP of 7.79, 17 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[[5-[3-[(1S)-2-(methylamino)-2-oxo-1-[[5-(5-phenylmethoxy-2-pyridinyl)furan-2-carbonyl]amino]ethyl]cyclohexyl]-3-pyridinyl]methoxy]-2-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 143994786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).