4-amino-N-methyl-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide

C15H20N4O — CID 43643792

IUPAC4-amino-N-methyl-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
SMILESCC(C)n1cc(N)cc1C(=O)N(C)Cc1cccnc1
InChIInChI=1S/C15H20N4O/c1-11(2)19-10-13(16)7-14(19)15(20)18(3)9-12-5-4-6-17-8-12/h4-8,10-11H,9,16H2,1-3H3
InChIKeyIPVQCVYRAHQNHA-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.32
Rot. Bonds4

About 4-amino-N-methyl-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide

4-amino-N-methyl-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide (PubChem CID 43643792) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-amino-N-methyl-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
PubChem CID43643792
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-amino-N-methyl-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
SMILESCC(C)n1cc(N)cc1C(=O)N(C)Cc1cccnc1
InChIInChI=1S/C15H20N4O/c1-11(2)19-10-13(16)7-14(19)15(20)18(3)9-12-5-4-6-17-8-12/h4-8,10-11H,9,16H2,1-3H3
InChIKeyIPVQCVYRAHQNHA-UHFFFAOYSA-N
XLogP2.32
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(2-hydroxyphenyl)methyl]-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 61116466
5-amino-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 54916915
2-amino-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 63109669
4-amino-N-methyl-N-(2-methylbutyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643482
3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103891587
5-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 81316551
5-amino-N-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 62156181
3-amino-N-methyl-N-(pyridin-3-ylmethyl)butanamide;dihydrochloride
CID 119958236
3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61116038
N-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 47245198
2-[methyl(pyridin-3-ylmethyl)carbamoyl]butanoic acid
CID 115186030
2-hydrazinyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62243618

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-methyl-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide (CID 43643792) is 4-amino-N-methyl-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-methyl-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide is CC(C)n1cc(N)cc1C(=O)N(C)Cc1cccnc1.
What is the InChIKey of 4-amino-N-methyl-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is IPVQCVYRAHQNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(2)19-10-13(16)7-14(19)15(20)18(3)9-12-5-4-6-17-8-12/h4-8,10-11H,9,16H2,1-3H3.
What are the key properties of 4-amino-N-methyl-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide?
4-amino-N-methyl-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 43643792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).