4-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride

C15H26ClN3O2 — CID 119587614

IUPAC4-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCC(=O)c1c(C)[nH]c(C(=O)NC(CN)CC(C)C)c1C.Cl
InChIInChI=1S/C15H25N3O2.ClH/c1-8(2)6-12(7-16)18-15(20)14-9(3)13(11(5)19)10(4)17-14;/h8,12,17H,6-7,16H2,1-5H3,(H,18,20);1H
InChIKeyQEQUQGQZOMTCQQ-UHFFFAOYSA-N
MW315.85 g/mol
LogP2.36
Rot. Bonds6

About 4-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride

4-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 119587614) has the molecular formula C15H26ClN3O2 and a molecular weight of 315.85 g/mol. Its IUPAC name is 4-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride
PubChem CID119587614
Molecular FormulaC15H26ClN3O2
Molecular Weight315.85 g/mol
Exact Mass315.17
IUPAC Name4-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCC(=O)c1c(C)[nH]c(C(=O)NC(CN)CC(C)C)c1C.Cl
InChIInChI=1S/C15H25N3O2.ClH/c1-8(2)6-12(7-16)18-15(20)14-9(3)13(11(5)19)10(4)17-14;/h8,12,17H,6-7,16H2,1-5H3,(H,18,20);1H
InChIKeyQEQUQGQZOMTCQQ-UHFFFAOYSA-N
XLogP2.36
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride with MolForge

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Related Compounds

4-acetyl-N-[(2S)-1-aminopropan-2-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 120507986
N-(1-amino-4-methylpentan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride
CID 119587345
N-(1-amino-4-methylpentan-2-yl)-2,4,6-trimethylbenzamide
CID 55243707
4-acetyl-N-[(2S)-1-aminopropan-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
CID 120508905
4-acetyl-3,5-dimethyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-1H-pyrrole-2-carboxamide
CID 94026516
[(2R)-1-methoxy-1-oxopropan-2-yl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 9362450
N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119587572
N-(1-amino-4-methylpentan-2-yl)-4-methyl-3-methylsulfonylbenzamide
CID 119586545
4-acetyl-N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 120651755
4-acetyl-3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide
CID 32895816
4-acetyl-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 95325019
4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 4239577

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of 4-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride (CID 119587614) is 4-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for 4-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride is CC(=O)c1c(C)[nH]c(C(=O)NC(CN)CC(C)C)c1C.Cl.
What is the InChIKey of 4-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride?
The InChIKey is QEQUQGQZOMTCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2.ClH/c1-8(2)6-12(7-16)18-15(20)14-9(3)13(11(5)19)10(4)17-14;/h8,12,17H,6-7,16H2,1-5H3,(H,18,20);1H.
What are the key properties of 4-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride?
4-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 315.85 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119587614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).