4-acetyl-N-[(2S)-1-aminopropan-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide

C14H23N3O2 — CID 120508905

IUPAC4-acetyl-N-[(2S)-1-aminopropan-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
SMILESCCCc1c(C(=O)N[C@@H](C)CN)[nH]c(C)c1C(C)=O
InChIInChI=1S/C14H23N3O2/c1-5-6-11-12(10(4)18)9(3)17-13(11)14(19)16-8(2)7-15/h8,17H,5-7,15H2,1-4H3,(H,16,19)/t8-/m0/s1
InChIKeyPMZUMERRWREYIZ-QMMMGPOBSA-N
MW265.36 g/mol
LogP1.56
Rot. Bonds6

About 4-acetyl-N-[(2S)-1-aminopropan-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide

4-acetyl-N-[(2S)-1-aminopropan-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide (PubChem CID 120508905) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-acetyl-N-[(2S)-1-aminopropan-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[(2S)-1-aminopropan-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
PubChem CID120508905
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-acetyl-N-[(2S)-1-aminopropan-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
SMILESCCCc1c(C(=O)N[C@@H](C)CN)[nH]c(C)c1C(C)=O
InChIInChI=1S/C14H23N3O2/c1-5-6-11-12(10(4)18)9(3)17-13(11)14(19)16-8(2)7-15/h8,17H,5-7,15H2,1-4H3,(H,16,19)/t8-/m0/s1
InChIKeyPMZUMERRWREYIZ-QMMMGPOBSA-N
XLogP1.56
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-[(2S)-1-aminopropan-2-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 120507986
4-acetyl-5-methyl-N-[2-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide
CID 120829396
4-acetyl-5-methyl-N-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-3-propyl-1H-pyrrole-2-carboxamide
CID 166394329
3-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 119237217
4-acetyl-N-[(2R)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
CID 166211455
2-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 119136993
4-acetyl-N-(2-amino-2-phenylethyl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
CID 119528709
4-acetyl-5-methyl-N-piperidin-4-yl-3-propyl-1H-pyrrole-2-carboxamide
CID 119388518
4-acetyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
CID 120946611
ethyl 4-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]benzoate
CID 47061548
6-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]hexanoic acid
CID 119220023
4-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229808

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(2S)-1-aminopropan-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[(2S)-1-aminopropan-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide (CID 120508905) is 4-acetyl-N-[(2S)-1-aminopropan-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[(2S)-1-aminopropan-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[(2S)-1-aminopropan-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide is CCCc1c(C(=O)N[C@@H](C)CN)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-N-[(2S)-1-aminopropan-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide?
The InChIKey is PMZUMERRWREYIZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-6-11-12(10(4)18)9(3)17-13(11)14(19)16-8(2)7-15/h8,17H,5-7,15H2,1-4H3,(H,16,19)/t8-/m0/s1.
What are the key properties of 4-acetyl-N-[(2S)-1-aminopropan-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-[(2S)-1-aminopropan-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(2S)-1-aminopropan-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 120508905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).