2-ethyl-N-[(1S,2S,4S)-2-hydroxy-4-(pyridin-3-ylmethylcarbamoyl)cyclopentyl]pyrazole-3-carboxamide;formic acid

C19H25N5O5 — CID 155972954

IUPAC2-ethyl-N-[(1S,2S,4S)-2-hydroxy-4-(pyridin-3-ylmethylcarbamoyl)cyclopentyl]pyrazole-3-carboxamide;formic acid
SMILESCCn1nccc1C(=O)N[C@H]1C[C@H](C(=O)NCc2cccnc2)C[C@@H]1O.O=CO
InChIInChI=1S/C18H23N5O3.CH2O2/c1-2-23-15(5-7-21-23)18(26)22-14-8-13(9-16(14)24)17(25)20-11-12-4-3-6-19-10-12;2-1-3/h3-7,10,13-14,16,24H,2,8-9,11H2,1H3,(H,20,25)(H,22,26);1H,(H,2,3)/t13-,14-,16-;/m0./s1
InChIKeyRUIHFJXLOKHRCT-LRRYJFTCSA-N
MW403.44 g/mol
LogP0.18
Rot. Bonds6

About 2-ethyl-N-[(1S,2S,4S)-2-hydroxy-4-(pyridin-3-ylmethylcarbamoyl)cyclopentyl]pyrazole-3-carboxamide;formic acid

2-ethyl-N-[(1S,2S,4S)-2-hydroxy-4-(pyridin-3-ylmethylcarbamoyl)cyclopentyl]pyrazole-3-carboxamide;formic acid (PubChem CID 155972954) has the molecular formula C19H25N5O5 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-ethyl-N-[(1S,2S,4S)-2-hydroxy-4-(pyridin-3-ylmethylcarbamoyl)cyclopentyl]pyrazole-3-carboxamide;formic acid.

Molecular Properties

Compound Name2-ethyl-N-[(1S,2S,4S)-2-hydroxy-4-(pyridin-3-ylmethylcarbamoyl)cyclopentyl]pyrazole-3-carboxamide;formic acid
PubChem CID155972954
Molecular FormulaC19H25N5O5
Molecular Weight403.44 g/mol
Exact Mass403.19
IUPAC Name2-ethyl-N-[(1S,2S,4S)-2-hydroxy-4-(pyridin-3-ylmethylcarbamoyl)cyclopentyl]pyrazole-3-carboxamide;formic acid
SMILESCCn1nccc1C(=O)N[C@H]1C[C@H](C(=O)NCc2cccnc2)C[C@@H]1O.O=CO
InChIInChI=1S/C18H23N5O3.CH2O2/c1-2-23-15(5-7-21-23)18(26)22-14-8-13(9-16(14)24)17(25)20-11-12-4-3-6-19-10-12;2-1-3/h3-7,10,13-14,16,24H,2,8-9,11H2,1H3,(H,20,25)(H,22,26);1H,(H,2,3)/t13-,14-,16-;/m0./s1
InChIKeyRUIHFJXLOKHRCT-LRRYJFTCSA-N
XLogP0.18
TPSA146.44 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(1S,3R,4R)-3-[[2-(4-chlorophenyl)acetyl]amino]-4-hydroxy-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide;formic acid
CID 163341831
(1S,3S,4S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxy-4-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxamide
CID 155914451
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 71166492
2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19475319
3-amino-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 66030290
(3aR,6S,7aR)-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine-6-carboxamide
CID 154776386
(3aR,6S,7aR)-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine-6-carboxamide;hydrochloride
CID 154776385
4-N,4-N-dipropyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148789
1-(1-pentan-3-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 25288397

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(1S,2S,4S)-2-hydroxy-4-(pyridin-3-ylmethylcarbamoyl)cyclopentyl]pyrazole-3-carboxamide;formic acid?
The IUPAC name of 2-ethyl-N-[(1S,2S,4S)-2-hydroxy-4-(pyridin-3-ylmethylcarbamoyl)cyclopentyl]pyrazole-3-carboxamide;formic acid (CID 155972954) is 2-ethyl-N-[(1S,2S,4S)-2-hydroxy-4-(pyridin-3-ylmethylcarbamoyl)cyclopentyl]pyrazole-3-carboxamide;formic acid.
What is the SMILES notation for 2-ethyl-N-[(1S,2S,4S)-2-hydroxy-4-(pyridin-3-ylmethylcarbamoyl)cyclopentyl]pyrazole-3-carboxamide;formic acid?
The canonical SMILES for 2-ethyl-N-[(1S,2S,4S)-2-hydroxy-4-(pyridin-3-ylmethylcarbamoyl)cyclopentyl]pyrazole-3-carboxamide;formic acid is CCn1nccc1C(=O)N[C@H]1C[C@H](C(=O)NCc2cccnc2)C[C@@H]1O.O=CO.
What is the InChIKey of 2-ethyl-N-[(1S,2S,4S)-2-hydroxy-4-(pyridin-3-ylmethylcarbamoyl)cyclopentyl]pyrazole-3-carboxamide;formic acid?
The InChIKey is RUIHFJXLOKHRCT-LRRYJFTCSA-N. The full InChI is InChI=1S/C18H23N5O3.CH2O2/c1-2-23-15(5-7-21-23)18(26)22-14-8-13(9-16(14)24)17(25)20-11-12-4-3-6-19-10-12;2-1-3/h3-7,10,13-14,16,24H,2,8-9,11H2,1H3,(H,20,25)(H,22,26);1H,(H,2,3)/t13-,14-,16-;/m0./s1.
What are the key properties of 2-ethyl-N-[(1S,2S,4S)-2-hydroxy-4-(pyridin-3-ylmethylcarbamoyl)cyclopentyl]pyrazole-3-carboxamide;formic acid?
2-ethyl-N-[(1S,2S,4S)-2-hydroxy-4-(pyridin-3-ylmethylcarbamoyl)cyclopentyl]pyrazole-3-carboxamide;formic acid has a molecular weight of 403.44 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 2-ethyl-N-[(1S,2S,4S)-2-hydroxy-4-(pyridin-3-ylmethylcarbamoyl)cyclopentyl]pyrazole-3-carboxamide;formic acid is sourced from PubChem (CID 155972954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).