N-[3-[4-(6-amino-3-pyridinyl)phenyl]propyl]-6-methylpyridine-3-carboxamide

C21H22N4O — CID 138674391

IUPACN-[3-[4-(6-amino-3-pyridinyl)phenyl]propyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCc2ccc(-c3ccc(N)nc3)cc2)cn1
InChIInChI=1S/C21H22N4O/c1-15-4-7-19(14-24-15)21(26)23-12-2-3-16-5-8-17(9-6-16)18-10-11-20(22)25-13-18/h4-11,13-14H,2-3,12H2,1H3,(H2,22,25)(H,23,26)
InChIKeyXKWSKPDASZJMNT-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.40
Rot. Bonds6

About N-[3-[4-(6-amino-3-pyridinyl)phenyl]propyl]-6-methylpyridine-3-carboxamide

N-[3-[4-(6-amino-3-pyridinyl)phenyl]propyl]-6-methylpyridine-3-carboxamide (PubChem CID 138674391) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[3-[4-(6-amino-3-pyridinyl)phenyl]propyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(6-amino-3-pyridinyl)phenyl]propyl]-6-methylpyridine-3-carboxamide
PubChem CID138674391
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-[3-[4-(6-amino-3-pyridinyl)phenyl]propyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCc2ccc(-c3ccc(N)nc3)cc2)cn1
InChIInChI=1S/C21H22N4O/c1-15-4-7-19(14-24-15)21(26)23-12-2-3-16-5-8-17(9-6-16)18-10-11-20(22)25-13-18/h4-11,13-14H,2-3,12H2,1H3,(H2,22,25)(H,23,26)
InChIKeyXKWSKPDASZJMNT-UHFFFAOYSA-N
XLogP3.40
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(2-fluorophenyl)phenyl]propyl]-6-methylpyridine-3-carboxamide
CID 138674359
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
N-(3-hydroxypropyl)-6-methylpyridine-3-carboxamide
CID 43417610
6-methyl-N-[3-[4-(2-oxo-1,3-dihydroindol-5-yl)phenyl]propyl]pyridine-3-carboxamide
CID 138674590
6-methyl-N-[3-[4-[4-(methylideneamino)-3-[(Z)-prop-1-enyl]phenyl]phenyl]propyl]pyridine-3-carboxamide
CID 167009420
6-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 62072605
6-amino-N-(5-amino-5-oxopentyl)pyridine-3-carboxamide
CID 114162800
6-amino-N-[2-[11-[4-(methylamino)phenyl]undecanoylamino]ethyl]pyridine-3-carboxamide
CID 143014726
6-methyl-N-[3-(3-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide
CID 138674427
6-amino-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 62313054
6-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-carboxamide
CID 62039665
6-methyl-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 62657976

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(6-amino-3-pyridinyl)phenyl]propyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[3-[4-(6-amino-3-pyridinyl)phenyl]propyl]-6-methylpyridine-3-carboxamide (CID 138674391) is N-[3-[4-(6-amino-3-pyridinyl)phenyl]propyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-[4-(6-amino-3-pyridinyl)phenyl]propyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[3-[4-(6-amino-3-pyridinyl)phenyl]propyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCCCc2ccc(-c3ccc(N)nc3)cc2)cn1.
What is the InChIKey of N-[3-[4-(6-amino-3-pyridinyl)phenyl]propyl]-6-methylpyridine-3-carboxamide?
The InChIKey is XKWSKPDASZJMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-4-7-19(14-24-15)21(26)23-12-2-3-16-5-8-17(9-6-16)18-10-11-20(22)25-13-18/h4-11,13-14H,2-3,12H2,1H3,(H2,22,25)(H,23,26).
What are the key properties of N-[3-[4-(6-amino-3-pyridinyl)phenyl]propyl]-6-methylpyridine-3-carboxamide?
N-[3-[4-(6-amino-3-pyridinyl)phenyl]propyl]-6-methylpyridine-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(6-amino-3-pyridinyl)phenyl]propyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 138674391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).