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

C15H20N4O — CID 61109144

IUPAC4-amino-1-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
SMILESCC(C)N(Cc1ccccn1)C(=O)c1cc(N)cn1C
InChIInChI=1S/C15H20N4O/c1-11(2)19(10-13-6-4-5-7-17-13)15(20)14-8-12(16)9-18(14)3/h4-9,11H,10,16H2,1-3H3
InChIKeyWVAAYMIFNFPROY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.05
Rot. Bonds4

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

4-amino-1-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide (PubChem CID 61109144) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-amino-1-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
PubChem CID61109144
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-amino-1-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
SMILESCC(C)N(Cc1ccccn1)C(=O)c1cc(N)cn1C
InChIInChI=1S/C15H20N4O/c1-11(2)19(10-13-6-4-5-7-17-13)15(20)14-8-12(16)9-18(14)3/h4-9,11H,10,16H2,1-3H3
InChIKeyWVAAYMIFNFPROY-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 114328230
4-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 63103234
4-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 60956029
N-propan-2-yl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 61036038
N-propan-2-yl-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 51090689
2-bromo-5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 80974171
4-amino-N-[(2-hydroxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 61116274
(2R)-2-amino-3,3-dimethyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)butanamide
CID 103929297
4-bromo-3-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 80974170
3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)but-2-enamide
CID 51088401
4-bromo-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 60955229
N-propan-2-yl-2-pyrazol-1-yl-N-(pyridin-2-ylmethyl)acetamide
CID 51088398

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide (CID 61109144) is 4-amino-1-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide is CC(C)N(Cc1ccccn1)C(=O)c1cc(N)cn1C.
What is the InChIKey of 4-amino-1-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is WVAAYMIFNFPROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(2)19(10-13-6-4-5-7-17-13)15(20)14-8-12(16)9-18(14)3/h4-9,11H,10,16H2,1-3H3.
What are the key properties of 4-amino-1-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
4-amino-1-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 61109144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).