2-formyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-5-methyl-1H-pyrrole-3-carboxamide

C14H21N3O3 — CID 91556839

IUPAC2-formyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-5-methyl-1H-pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC(O)CN2CCCC2)c(C=O)[nH]1
InChIInChI=1S/C14H21N3O3/c1-10-6-12(13(9-18)16-10)14(20)15-7-11(19)8-17-4-2-3-5-17/h6,9,11,16,19H,2-5,7-8H2,1H3,(H,15,20)
InChIKeyIPLCPKXMEXEOTQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.32
Rot. Bonds6

About 2-formyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-5-methyl-1H-pyrrole-3-carboxamide

2-formyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-5-methyl-1H-pyrrole-3-carboxamide (PubChem CID 91556839) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-formyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-5-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-formyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-5-methyl-1H-pyrrole-3-carboxamide
PubChem CID91556839
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-formyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-5-methyl-1H-pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC(O)CN2CCCC2)c(C=O)[nH]1
InChIInChI=1S/C14H21N3O3/c1-10-6-12(13(9-18)16-10)14(20)15-7-11(19)8-17-4-2-3-5-17/h6,9,11,16,19H,2-5,7-8H2,1H3,(H,15,20)
InChIKeyIPLCPKXMEXEOTQ-UHFFFAOYSA-N
XLogP0.32
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 126429719
4-(2-acetylphenyl)-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]benzamide
CID 126449800
2-(cyclopropylmethoxy)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-4-methoxybenzamide
CID 124853730
N-[(2S)-3-(azepan-1-yl)-2-hydroxypropyl]-4-chloro-1-methylpyrazole-5-carboxamide
CID 99935183
N-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-3-(3-methoxyphenyl)benzamide
CID 125171289
1-[(3,5-difluorophenyl)methyl]-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea
CID 119070737
2-cyclobutyloxy-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 111427408
7-(5-fluoro-2-hydroxy-1H-indol-3-yl)-N-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-4,5-dihydro-1H-indole-3-carboxamide
CID 91191099
2,4-dichloro-N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 95304469
2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-N-methylacetamide
CID 60901241
5-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 65309537
2-hydrazinyl-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62990650

Frequently Asked Questions

What is the IUPAC name of 2-formyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-5-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-formyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-5-methyl-1H-pyrrole-3-carboxamide (CID 91556839) is 2-formyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-5-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-formyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-5-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-formyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-5-methyl-1H-pyrrole-3-carboxamide is Cc1cc(C(=O)NCC(O)CN2CCCC2)c(C=O)[nH]1.
What is the InChIKey of 2-formyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-5-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is IPLCPKXMEXEOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10-6-12(13(9-18)16-10)14(20)15-7-11(19)8-17-4-2-3-5-17/h6,9,11,16,19H,2-5,7-8H2,1H3,(H,15,20).
What are the key properties of 2-formyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-5-methyl-1H-pyrrole-3-carboxamide?
2-formyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-5-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-5-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 91556839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).