N-[4-[[(2S)-2-hydroxypropanoyl]amino]cyclohexyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

C17H23N5O3 — CID 142738199

IUPACN-[4-[[(2S)-2-hydroxypropanoyl]amino]cyclohexyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
SMILESCc1[nH]c2cncnc2c1C(=O)NC1CCC(NC(=O)[C@H](C)O)CC1
InChIInChI=1S/C17H23N5O3/c1-9-14(15-13(20-9)7-18-8-19-15)17(25)22-12-5-3-11(4-6-12)21-16(24)10(2)23/h7-8,10-12,20,23H,3-6H2,1-2H3,(H,21,24)(H,22,25)/t10-,11?,12?/m0/s1
InChIKeyIFUYIRDLJRGUAP-UNXYVOJBSA-N
MW345.40 g/mol
LogP0.80
Rot. Bonds4

About N-[4-[[(2S)-2-hydroxypropanoyl]amino]cyclohexyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

N-[4-[[(2S)-2-hydroxypropanoyl]amino]cyclohexyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide (PubChem CID 142738199) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[4-[[(2S)-2-hydroxypropanoyl]amino]cyclohexyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[4-[[(2S)-2-hydroxypropanoyl]amino]cyclohexyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
PubChem CID142738199
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-[4-[[(2S)-2-hydroxypropanoyl]amino]cyclohexyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
SMILESCc1[nH]c2cncnc2c1C(=O)NC1CCC(NC(=O)[C@H](C)O)CC1
InChIInChI=1S/C17H23N5O3/c1-9-14(15-13(20-9)7-18-8-19-15)17(25)22-12-5-3-11(4-6-12)21-16(24)10(2)23/h7-8,10-12,20,23H,3-6H2,1-2H3,(H,21,24)(H,22,25)/t10-,11?,12?/m0/s1
InChIKeyIFUYIRDLJRGUAP-UNXYVOJBSA-N
XLogP0.80
TPSA120.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[4-[[(2S)-2-hydroxypropanoyl]amino]cyclohexyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-4-methylpyrimidine-5-carboxamide
CID 110848001
4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[(1R,3R,4S)-4-[[(2S)-2-hydroxypropanoyl]amino]-3-methylcyclohexyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 67955810
4-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(1S,3R,4R)-3-fluoro-4-[[(2S)-2-hydroxypropanoyl]amino]cyclohexyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 67956273
4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[(1S,2R,4R)-4-[[(2S)-2-hydroxypropanoyl]amino]-2-methylcyclohexyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 67956451
4-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(1R,2R,4S)-4-[[(2S)-2-hydroxypropanoyl]amino]-2-methylcyclohexyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 67956627
6-chloro-N-cyclopropyl-2-methyl-1H-indole-3-carboxamide
CID 110847987
N-(4-aminocyclohexyl)-4-propan-2-ylpyrimidine-5-carboxamide
CID 119475953
(2S)-2-hydroxy-N-(4-methylcyclohexyl)propanamide
CID 70253137
[4-[[4-[2-(cyclopropylmethoxy)-5-(difluoromethyl)phenyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carbonyl]amino]cyclohexyl]carbamic acid
CID 67957066
(2S)-N-(cyclohexylcarbamoyl)-2-(7H-purin-8-ylsulfanyl)propanamide
CID 99786597
N-cyclopentyl-4-methoxy-2-methyl-1H-indole-3-carboxamide
CID 110848681
4-[2-ethoxy-5-(trifluoromethyl)phenyl]-N-[1-(2-hydroxypropanoyl)piperidin-4-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 67034092

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S)-2-hydroxypropanoyl]amino]cyclohexyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[4-[[(2S)-2-hydroxypropanoyl]amino]cyclohexyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide (CID 142738199) is N-[4-[[(2S)-2-hydroxypropanoyl]amino]cyclohexyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[4-[[(2S)-2-hydroxypropanoyl]amino]cyclohexyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[4-[[(2S)-2-hydroxypropanoyl]amino]cyclohexyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide is Cc1[nH]c2cncnc2c1C(=O)NC1CCC(NC(=O)[C@H](C)O)CC1.
What is the InChIKey of N-[4-[[(2S)-2-hydroxypropanoyl]amino]cyclohexyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is IFUYIRDLJRGUAP-UNXYVOJBSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-9-14(15-13(20-9)7-18-8-19-15)17(25)22-12-5-3-11(4-6-12)21-16(24)10(2)23/h7-8,10-12,20,23H,3-6H2,1-2H3,(H,21,24)(H,22,25)/t10-,11?,12?/m0/s1.
What are the key properties of N-[4-[[(2S)-2-hydroxypropanoyl]amino]cyclohexyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
N-[4-[[(2S)-2-hydroxypropanoyl]amino]cyclohexyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 0.80, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S)-2-hydroxypropanoyl]amino]cyclohexyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 142738199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).