N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[(1R)-1-pyridin-4-ylethoxy]-2-pyridinyl]furan-2-carboxamide

C26H30N4O4 — CID 58505524

IUPACN-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[(1R)-1-pyridin-4-ylethoxy]-2-pyridinyl]furan-2-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(O[C@H](C)c3ccncc3)cn2)o1)C1CCCCC1
InChIInChI=1S/C26H30N4O4/c1-17(18-12-14-28-15-13-18)33-20-8-9-21(29-16-20)22-10-11-23(34-22)25(31)30-24(26(32)27-2)19-6-4-3-5-7-19/h8-17,19,24H,3-7H2,1-2H3,(H,27,32)(H,30,31)/t17-,24+/m1/s1
InChIKeyDWVKWADZUZMFQP-OSPHWJPCSA-N
MW462.55 g/mol
LogP4.30
Rot. Bonds8

About N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[(1R)-1-pyridin-4-ylethoxy]-2-pyridinyl]furan-2-carboxamide

N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[(1R)-1-pyridin-4-ylethoxy]-2-pyridinyl]furan-2-carboxamide (PubChem CID 58505524) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[(1R)-1-pyridin-4-ylethoxy]-2-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[(1R)-1-pyridin-4-ylethoxy]-2-pyridinyl]furan-2-carboxamide
PubChem CID58505524
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC NameN-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[(1R)-1-pyridin-4-ylethoxy]-2-pyridinyl]furan-2-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(O[C@H](C)c3ccncc3)cn2)o1)C1CCCCC1
InChIInChI=1S/C26H30N4O4/c1-17(18-12-14-28-15-13-18)33-20-8-9-21(29-16-20)22-10-11-23(34-22)25(31)30-24(26(32)27-2)19-6-4-3-5-7-19/h8-17,19,24H,3-7H2,1-2H3,(H,27,32)(H,30,31)/t17-,24+/m1/s1
InChIKeyDWVKWADZUZMFQP-OSPHWJPCSA-N
XLogP4.30
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[(1S)-1-pyridin-4-ylethoxy]-2-pyridinyl]furan-2-carboxamide
CID 58505422
N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(5H-cyclopenta[c]pyridin-3-yl)furan-2-carboxamide
CID 58492138
N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(4-methylphenyl)furan-2-carboxamide
CID 74960677
N-[[2-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]-1-benzofuran-2-carboxamide
CID 70224698
N-[[3-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]pyrimidine-4-carboxamide
CID 70227282
N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(pyridin-4-ylmethyl)-1H-indol-6-yl]furan-2-carboxamide
CID 70667111
5-(4-cyanophenyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 76807256
N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 70226655
N-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylpyridine-3-carboxamide
CID 76807316
5-(4-amino-3-nitrosophenyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 91216509
N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide
CID 76807347
5-(5-chloro-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;5-(4-cyanophenyl)-N-[(1S)-1-cyclohexyl-2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide;5-(4-cyanophenyl)-N-[(1S)-1-cyclohexyl-2-(2-hydroxypropylamino)-2-oxoethyl]furan-2-carboxamide;5-(4-cyanophenyl)-N-[(1S)-1-cyclohexyl-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide;5-(4-cyanophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(4-methoxyphenyl)furan-2-carboxamide;methyl 2-[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]acetate
CID 160960162

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[(1R)-1-pyridin-4-ylethoxy]-2-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[(1R)-1-pyridin-4-ylethoxy]-2-pyridinyl]furan-2-carboxamide (CID 58505524) is N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[(1R)-1-pyridin-4-ylethoxy]-2-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[(1R)-1-pyridin-4-ylethoxy]-2-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[(1R)-1-pyridin-4-ylethoxy]-2-pyridinyl]furan-2-carboxamide is CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(O[C@H](C)c3ccncc3)cn2)o1)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[(1R)-1-pyridin-4-ylethoxy]-2-pyridinyl]furan-2-carboxamide?
The InChIKey is DWVKWADZUZMFQP-OSPHWJPCSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-17(18-12-14-28-15-13-18)33-20-8-9-21(29-16-20)22-10-11-23(34-22)25(31)30-24(26(32)27-2)19-6-4-3-5-7-19/h8-17,19,24H,3-7H2,1-2H3,(H,27,32)(H,30,31)/t17-,24+/m1/s1.
What are the key properties of N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[(1R)-1-pyridin-4-ylethoxy]-2-pyridinyl]furan-2-carboxamide?
N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[(1R)-1-pyridin-4-ylethoxy]-2-pyridinyl]furan-2-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[(1R)-1-pyridin-4-ylethoxy]-2-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 58505524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).