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

C15H25N3O2 — CID 120829396

IUPAC4-acetyl-5-methyl-N-[2-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide
SMILESCCCc1c(C(=O)NCC(C)NC)[nH]c(C)c1C(C)=O
InChIInChI=1S/C15H25N3O2/c1-6-7-12-13(11(4)19)10(3)18-14(12)15(20)17-8-9(2)16-5/h9,16,18H,6-8H2,1-5H3,(H,17,20)
InChIKeyNANWLLUFIDMNFA-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.82
Rot. Bonds7

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

4-acetyl-5-methyl-N-[2-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide (PubChem CID 120829396) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-acetyl-5-methyl-N-[2-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-5-methyl-N-[2-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide
PubChem CID120829396
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-acetyl-5-methyl-N-[2-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide
SMILESCCCc1c(C(=O)NCC(C)NC)[nH]c(C)c1C(C)=O
InChIInChI=1S/C15H25N3O2/c1-6-7-12-13(11(4)19)10(3)18-14(12)15(20)17-8-9(2)16-5/h9,16,18H,6-8H2,1-5H3,(H,17,20)
InChIKeyNANWLLUFIDMNFA-UHFFFAOYSA-N
XLogP1.82
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 119237217
4-acetyl-3-ethyl-N-[(2R)-2-(ethylamino)propyl]-5-methyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 120654198
4-acetyl-5-methyl-N-[3-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide
CID 119432269
4-acetyl-N-[(2S)-1-aminopropan-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
CID 120508905
4-acetyl-N-(2-amino-2-phenylethyl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
CID 119528709
4-acetyl-N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 120651755
4-acetyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
CID 120946611
6-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]hexanoic acid
CID 119220023
4-acetyl-5-methyl-N-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-3-propyl-1H-pyrrole-2-carboxamide
CID 166394329
4-acetyl-5-methyl-N-piperidin-4-yl-3-propyl-1H-pyrrole-2-carboxamide
CID 119388518
3-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)-methylamino]propanoic acid
CID 119232908
4-acetyl-3-ethyl-5-methyl-N-(3-methyl-2-phenylbutyl)-1H-pyrrole-2-carboxamide
CID 60511170

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-5-methyl-N-[2-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-5-methyl-N-[2-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide (CID 120829396) is 4-acetyl-5-methyl-N-[2-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-5-methyl-N-[2-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-5-methyl-N-[2-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide is CCCc1c(C(=O)NCC(C)NC)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-5-methyl-N-[2-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide?
The InChIKey is NANWLLUFIDMNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-6-7-12-13(11(4)19)10(3)18-14(12)15(20)17-8-9(2)16-5/h9,16,18H,6-8H2,1-5H3,(H,17,20).
What are the key properties of 4-acetyl-5-methyl-N-[2-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide?
4-acetyl-5-methyl-N-[2-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 1.82, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-5-methyl-N-[2-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 120829396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).