N-[(1R,2R,4S)-2-hydroxy-4-(2-hydroxyethylcarbamoyl)cyclopentyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide

C19H23N5O4 — CID 163304674

IUPACN-[(1R,2R,4S)-2-hydroxy-4-(2-hydroxyethylcarbamoyl)cyclopentyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCc1nc(-c2cccnc2)ncc1C(=O)N[C@@H]1C[C@H](C(=O)NCCO)C[C@H]1O
InChIInChI=1S/C19H23N5O4/c1-11-14(10-22-17(23-11)12-3-2-4-20-9-12)19(28)24-15-7-13(8-16(15)26)18(27)21-5-6-25/h2-4,9-10,13,15-16,25-26H,5-8H2,1H3,(H,21,27)(H,24,28)/t13-,15+,16+/m0/s1
InChIKeyGJWCHOVEHTVCHX-NUEKZKHPSA-N
MW385.42 g/mol
LogP-0.18
Rot. Bonds6

About N-[(1R,2R,4S)-2-hydroxy-4-(2-hydroxyethylcarbamoyl)cyclopentyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide

N-[(1R,2R,4S)-2-hydroxy-4-(2-hydroxyethylcarbamoyl)cyclopentyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide (PubChem CID 163304674) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[(1R,2R,4S)-2-hydroxy-4-(2-hydroxyethylcarbamoyl)cyclopentyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,4S)-2-hydroxy-4-(2-hydroxyethylcarbamoyl)cyclopentyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
PubChem CID163304674
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC NameN-[(1R,2R,4S)-2-hydroxy-4-(2-hydroxyethylcarbamoyl)cyclopentyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCc1nc(-c2cccnc2)ncc1C(=O)N[C@@H]1C[C@H](C(=O)NCCO)C[C@H]1O
InChIInChI=1S/C19H23N5O4/c1-11-14(10-22-17(23-11)12-3-2-4-20-9-12)19(28)24-15-7-13(8-16(15)26)18(27)21-5-6-25/h2-4,9-10,13,15-16,25-26H,5-8H2,1H3,(H,21,27)(H,24,28)/t13-,15+,16+/m0/s1
InChIKeyGJWCHOVEHTVCHX-NUEKZKHPSA-N
XLogP-0.18
TPSA137.33 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[(1R,2R,4S)-2-hydroxy-4-(2-hydroxyethylcarbamoyl)cyclopentyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 70788637
4-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 165427073
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 131892436
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 74251449
N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 118764274
N-[2-(azepan-1-yl)-2-phenylethyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 131893516
4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide
CID 74244228
4-amino-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 83567475
[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 72895677
4-amino-N-pentyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 83567464
[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 91771542
4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide
CID 59199969

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4S)-2-hydroxy-4-(2-hydroxyethylcarbamoyl)cyclopentyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[(1R,2R,4S)-2-hydroxy-4-(2-hydroxyethylcarbamoyl)cyclopentyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide (CID 163304674) is N-[(1R,2R,4S)-2-hydroxy-4-(2-hydroxyethylcarbamoyl)cyclopentyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1R,2R,4S)-2-hydroxy-4-(2-hydroxyethylcarbamoyl)cyclopentyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(1R,2R,4S)-2-hydroxy-4-(2-hydroxyethylcarbamoyl)cyclopentyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide is Cc1nc(-c2cccnc2)ncc1C(=O)N[C@@H]1C[C@H](C(=O)NCCO)C[C@H]1O.
What is the InChIKey of N-[(1R,2R,4S)-2-hydroxy-4-(2-hydroxyethylcarbamoyl)cyclopentyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The InChIKey is GJWCHOVEHTVCHX-NUEKZKHPSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-11-14(10-22-17(23-11)12-3-2-4-20-9-12)19(28)24-15-7-13(8-16(15)26)18(27)21-5-6-25/h2-4,9-10,13,15-16,25-26H,5-8H2,1H3,(H,21,27)(H,24,28)/t13-,15+,16+/m0/s1.
What are the key properties of N-[(1R,2R,4S)-2-hydroxy-4-(2-hydroxyethylcarbamoyl)cyclopentyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
N-[(1R,2R,4S)-2-hydroxy-4-(2-hydroxyethylcarbamoyl)cyclopentyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide has a molecular weight of 385.42 g/mol, XLogP of -0.18, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4S)-2-hydroxy-4-(2-hydroxyethylcarbamoyl)cyclopentyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 163304674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).