N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(pyridin-4-ylmethyl)-1H-indol-6-yl]furan-2-carboxamide

C28H30N4O3 — CID 70667111

IUPACN-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(pyridin-4-ylmethyl)-1H-indol-6-yl]furan-2-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc3cc(Cc4ccncc4)[nH]c3c2)o1)C1CCCCC1
InChIInChI=1S/C28H30N4O3/c1-29-28(34)26(19-5-3-2-4-6-19)32-27(33)25-10-9-24(35-25)21-8-7-20-16-22(31-23(20)17-21)15-18-11-13-30-14-12-18/h7-14,16-17,19,26,31H,2-6,15H2,1H3,(H,29,34)(H,32,33)/t26-/m0/s1
InChIKeyPIKRBSBLGNFNSJ-SANMLTNESA-N
MW470.57 g/mol
LogP4.84
Rot. Bonds7

About N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(pyridin-4-ylmethyl)-1H-indol-6-yl]furan-2-carboxamide

N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(pyridin-4-ylmethyl)-1H-indol-6-yl]furan-2-carboxamide (PubChem CID 70667111) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(pyridin-4-ylmethyl)-1H-indol-6-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(pyridin-4-ylmethyl)-1H-indol-6-yl]furan-2-carboxamide
PubChem CID70667111
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC NameN-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(pyridin-4-ylmethyl)-1H-indol-6-yl]furan-2-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc3cc(Cc4ccncc4)[nH]c3c2)o1)C1CCCCC1
InChIInChI=1S/C28H30N4O3/c1-29-28(34)26(19-5-3-2-4-6-19)32-27(33)25-10-9-24(35-25)21-8-7-20-16-22(31-23(20)17-21)15-18-11-13-30-14-12-18/h7-14,16-17,19,26,31H,2-6,15H2,1H3,(H,29,34)(H,32,33)/t26-/m0/s1
InChIKeyPIKRBSBLGNFNSJ-SANMLTNESA-N
XLogP4.84
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(pyridin-4-ylmethyl)-1H-indol-6-yl]furan-2-carboxamide?
The IUPAC name of N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(pyridin-4-ylmethyl)-1H-indol-6-yl]furan-2-carboxamide (CID 70667111) is N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(pyridin-4-ylmethyl)-1H-indol-6-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(pyridin-4-ylmethyl)-1H-indol-6-yl]furan-2-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(pyridin-4-ylmethyl)-1H-indol-6-yl]furan-2-carboxamide is CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc3cc(Cc4ccncc4)[nH]c3c2)o1)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(pyridin-4-ylmethyl)-1H-indol-6-yl]furan-2-carboxamide?
The InChIKey is PIKRBSBLGNFNSJ-SANMLTNESA-N. The full InChI is InChI=1S/C28H30N4O3/c1-29-28(34)26(19-5-3-2-4-6-19)32-27(33)25-10-9-24(35-25)21-8-7-20-16-22(31-23(20)17-21)15-18-11-13-30-14-12-18/h7-14,16-17,19,26,31H,2-6,15H2,1H3,(H,29,34)(H,32,33)/t26-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(pyridin-4-ylmethyl)-1H-indol-6-yl]furan-2-carboxamide?
N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(pyridin-4-ylmethyl)-1H-indol-6-yl]furan-2-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 4.84, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(pyridin-4-ylmethyl)-1H-indol-6-yl]furan-2-carboxamide is sourced from PubChem (CID 70667111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).