N-[(2S)-1-[[(2S,3R)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide

C24H27N5O3 — CID 169194222

IUPACN-[(2S)-1-[[(2S,3R)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
SMILESC[C@@H](c1ccccn1)[C@H](NC(=O)[C@H](CC1CC1)NC(=O)c1cc2ccccc2[nH]1)C(N)=O
InChIInChI=1S/C24H27N5O3/c1-14(17-7-4-5-11-26-17)21(22(25)30)29-24(32)19(12-15-9-10-15)28-23(31)20-13-16-6-2-3-8-18(16)27-20/h2-8,11,13-15,19,21,27H,9-10,12H2,1H3,(H2,25,30)(H,28,31)(H,29,32)/t14-,19-,21-/m0/s1
InChIKeyHZFGPVQIYAMIGG-JBYOLUDKSA-N
MW433.51 g/mol
LogP2.24
Rot. Bonds9

About N-[(2S)-1-[[(2S,3R)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide

N-[(2S)-1-[[(2S,3R)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide (PubChem CID 169194222) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S,3R)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(2S,3R)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
PubChem CID169194222
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-[(2S)-1-[[(2S,3R)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
SMILESC[C@@H](c1ccccn1)[C@H](NC(=O)[C@H](CC1CC1)NC(=O)c1cc2ccccc2[nH]1)C(N)=O
InChIInChI=1S/C24H27N5O3/c1-14(17-7-4-5-11-26-17)21(22(25)30)29-24(32)19(12-15-9-10-15)28-23(31)20-13-16-6-2-3-8-18(16)27-20/h2-8,11,13-15,19,21,27H,9-10,12H2,1H3,(H2,25,30)(H,28,31)(H,29,32)/t14-,19-,21-/m0/s1
InChIKeyHZFGPVQIYAMIGG-JBYOLUDKSA-N
XLogP2.24
TPSA129.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-[[(2S,3R)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

methyl (2S)-2-[[(2S)-2-[(7-chloro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]propanoate
CID 166840763
5-amino-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide
CID 63117840
N-[(2S)-1-[[(2S)-3-(4-fluorocyclohexyl)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 166691864
2-[[(2S)-2-(1H-indole-2-carbonylamino)-4-methylpentanoyl]amino]octanediamide
CID 171530236
N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-(4,4-difluorocyclohexyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 166893379
N-(dicyclopropylmethyl)-1H-indole-2-carboxamide
CID 47143820
N-[(2S)-1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 6722885
N-[(2R)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-4-amino-3,4-dioxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 156883547
N-[1-[[1-cyano-2-(2-oxopiperidin-1-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 169194074
N-[(2S)-1-[[(1S)-1-cyano-2-(2-oxopiperidin-1-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 169194015
N-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 81042932
N-[(2S)-1-[[(2S)-4-chloro-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide;ethane
CID 166156990

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S,3R)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(2S)-1-[[(2S,3R)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide (CID 169194222) is N-[(2S)-1-[[(2S,3R)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(2S,3R)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(2S,3R)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide is C[C@@H](c1ccccn1)[C@H](NC(=O)[C@H](CC1CC1)NC(=O)c1cc2ccccc2[nH]1)C(N)=O.
What is the InChIKey of N-[(2S)-1-[[(2S,3R)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is HZFGPVQIYAMIGG-JBYOLUDKSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-14(17-7-4-5-11-26-17)21(22(25)30)29-24(32)19(12-15-9-10-15)28-23(31)20-13-16-6-2-3-8-18(16)27-20/h2-8,11,13-15,19,21,27H,9-10,12H2,1H3,(H2,25,30)(H,28,31)(H,29,32)/t14-,19-,21-/m0/s1.
What are the key properties of N-[(2S)-1-[[(2S,3R)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
N-[(2S)-1-[[(2S,3R)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 2.24, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(2S,3R)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 169194222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).