6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-anilino-N-methylpyridine-3-carboxamide

C24H29N7O2 — CID 46917678

IUPAC6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-anilino-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(CCCCNC(=O)NCc2ccc(N)nc2)nc1Nc1ccccc1
InChIInChI=1S/C24H29N7O2/c1-26-23(32)20-12-11-19(31-22(20)30-18-7-3-2-4-8-18)9-5-6-14-27-24(33)29-16-17-10-13-21(25)28-15-17/h2-4,7-8,10-13,15H,5-6,9,14,16H2,1H3,(H2,25,28)(H,26,32)(H,30,31)(H2,27,29,33)
InChIKeyJIAFDUATJIOHOU-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.98
Rot. Bonds10

About 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-anilino-N-methylpyridine-3-carboxamide

6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-anilino-N-methylpyridine-3-carboxamide (PubChem CID 46917678) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-anilino-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-anilino-N-methylpyridine-3-carboxamide
PubChem CID46917678
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC Name6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-anilino-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(CCCCNC(=O)NCc2ccc(N)nc2)nc1Nc1ccccc1
InChIInChI=1S/C24H29N7O2/c1-26-23(32)20-12-11-19(31-22(20)30-18-7-3-2-4-8-18)9-5-6-14-27-24(33)29-16-17-10-13-21(25)28-15-17/h2-4,7-8,10-13,15H,5-6,9,14,16H2,1H3,(H2,25,28)(H,26,32)(H,30,31)(H2,27,29,33)
InChIKeyJIAFDUATJIOHOU-UHFFFAOYSA-N
XLogP2.98
TPSA134.06 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-(cyclopropylamino)-N-methylpyridine-3-carboxamide
CID 46917960
2-(ethylamino)-6-[4-[(5-fluoro-3-pyridinyl)methylcarbamoylamino]butyl]-N-methylpyridine-3-carboxamide
CID 46917894
6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-methylbutan-2-yl]-N-methyl-2-prop-1-en-2-ylpyridine-3-carboxamide
CID 91226747
2-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-4-anilino-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide
CID 46918314
6-[4-[[(6-amino-3-pyridinyl)methylamino]methylamino]cyclohexyl]-2-anilino-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 90885856
4-(benzylcarbamoylamino)butylphosphonic acid
CID 167094446
2-amino-6-(2-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide
CID 70831046
5-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 106238714
6-[(6-methyl-3-pyridinyl)methylcarbamoylamino]hexanoic acid
CID 62995104
1-[(6-amino-3-pyridinyl)methyl]-3-(4-bromophenyl)urea
CID 134813904
5-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81096535
4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-chlorobenzamide
CID 86819891

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-anilino-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-anilino-N-methylpyridine-3-carboxamide (CID 46917678) is 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-anilino-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-anilino-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-anilino-N-methylpyridine-3-carboxamide is CNC(=O)c1ccc(CCCCNC(=O)NCc2ccc(N)nc2)nc1Nc1ccccc1.
What is the InChIKey of 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-anilino-N-methylpyridine-3-carboxamide?
The InChIKey is JIAFDUATJIOHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-26-23(32)20-12-11-19(31-22(20)30-18-7-3-2-4-8-18)9-5-6-14-27-24(33)29-16-17-10-13-21(25)28-15-17/h2-4,7-8,10-13,15H,5-6,9,14,16H2,1H3,(H2,25,28)(H,26,32)(H,30,31)(H2,27,29,33).
What are the key properties of 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-anilino-N-methylpyridine-3-carboxamide?
6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-anilino-N-methylpyridine-3-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 2.98, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-anilino-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 46917678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).