4-amino-N-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide

C15H20N4O — CID 114698174

IUPAC4-amino-N-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1cnccc1CNC(=O)c1cc(N)cn1C(C)C
InChIInChI=1S/C15H20N4O/c1-10(2)19-9-13(16)6-14(19)15(20)18-8-12-4-5-17-7-11(12)3/h4-7,9-10H,8,16H2,1-3H3,(H,18,20)
InChIKeyLFQWZWVQDNOFHT-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.28
Rot. Bonds4

About 4-amino-N-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide

4-amino-N-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 114698174) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-amino-N-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID114698174
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-amino-N-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1cnccc1CNC(=O)c1cc(N)cn1C(C)C
InChIInChI=1S/C15H20N4O/c1-10(2)19-9-13(16)6-14(19)15(20)18-8-12-4-5-17-7-11(12)3/h4-7,9-10H,8,16H2,1-3H3,(H,18,20)
InChIKeyLFQWZWVQDNOFHT-UHFFFAOYSA-N
XLogP2.28
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-diamino-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698194
4-amino-N-[(2,4-difluorophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62223612
2-amino-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698170
2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701849
2,4-dihydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 104957549
4-amino-N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 64519328
4-bromo-1-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]pyrrole-2-carboxamide
CID 114700587
4-amino-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61351154
4-amino-3-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700251
4-fluoro-2-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 104957562
3-amino-4,5-dichloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698144
3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114699471

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide (CID 114698174) is 4-amino-N-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide is Cc1cnccc1CNC(=O)c1cc(N)cn1C(C)C.
What is the InChIKey of 4-amino-N-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is LFQWZWVQDNOFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(2)19-9-13(16)6-14(19)15(20)18-8-12-4-5-17-7-11(12)3/h4-7,9-10H,8,16H2,1-3H3,(H,18,20).
What are the key properties of 4-amino-N-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide?
4-amino-N-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 114698174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).