N-methyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide

C12H20N4O — CID 62665007

IUPACN-methyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide
SMILESCCCNCCNc1ccnc(C(=O)NC)c1
InChIInChI=1S/C12H20N4O/c1-3-5-14-7-8-15-10-4-6-16-11(9-10)12(17)13-2/h4,6,9,14H,3,5,7-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyCIVALLVCRFXJFU-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.85
Rot. Bonds7

About N-methyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide

N-methyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide (PubChem CID 62665007) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-methyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide
PubChem CID62665007
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-methyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide
SMILESCCCNCCNc1ccnc(C(=O)NC)c1
InChIInChI=1S/C12H20N4O/c1-3-5-14-7-8-15-10-4-6-16-11(9-10)12(17)13-2/h4,6,9,14H,3,5,7-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyCIVALLVCRFXJFU-UHFFFAOYSA-N
XLogP0.85
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide
CID 55101029
4-(2-ethoxyethylamino)-N-methylpyridine-2-carboxamide
CID 43591225
4-[[3-(diethylamino)-3-oxopropyl]amino]-N-methylpyridine-2-carboxamide
CID 60926875
4-[(2-ethylphenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 64695920
4-[(2-amino-2-ethylbutyl)amino]-N-methylpyridine-2-carboxamide
CID 113283242
N-pentan-2-yl-4-(propylamino)pyridine-2-carboxamide
CID 62185598
4-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62172967
methyl 4-[2-(2-methoxyethylamino)ethylamino]pyridine-2-carboxylate
CID 83029565
2-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]pentanoic acid
CID 65224219
N-methyl-4-[2-(2-methylphenyl)ethylamino]pyridine-2-carboxamide
CID 112722856
4-[3-(cyclopropylamino)propylamino]-N-methylpyridine-2-carboxamide
CID 43599645
N-(3,4-dimethylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62173356

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide (CID 62665007) is N-methyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide is CCCNCCNc1ccnc(C(=O)NC)c1.
What is the InChIKey of N-methyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide?
The InChIKey is CIVALLVCRFXJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-5-14-7-8-15-10-4-6-16-11(9-10)12(17)13-2/h4,6,9,14H,3,5,7-8H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of N-methyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide?
N-methyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 62665007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).