N-(4-methylpiperazin-1-yl)-5-(propylamino)pyridine-2-carboxamide

C14H23N5O — CID 104641991

IUPACN-(4-methylpiperazin-1-yl)-5-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)NN2CCN(C)CC2)nc1
InChIInChI=1S/C14H23N5O/c1-3-6-15-12-4-5-13(16-11-12)14(20)17-19-9-7-18(2)8-10-19/h4-5,11,15H,3,6-10H2,1-2H3,(H,17,20)
InChIKeyZMULDUKGDBXTME-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.80
Rot. Bonds5

About N-(4-methylpiperazin-1-yl)-5-(propylamino)pyridine-2-carboxamide

N-(4-methylpiperazin-1-yl)-5-(propylamino)pyridine-2-carboxamide (PubChem CID 104641991) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-5-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-5-(propylamino)pyridine-2-carboxamide
PubChem CID104641991
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-(4-methylpiperazin-1-yl)-5-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)NN2CCN(C)CC2)nc1
InChIInChI=1S/C14H23N5O/c1-3-6-15-12-4-5-13(16-11-12)14(20)17-19-9-7-18(2)8-10-19/h4-5,11,15H,3,6-10H2,1-2H3,(H,17,20)
InChIKeyZMULDUKGDBXTME-UHFFFAOYSA-N
XLogP0.80
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylpyrazol-4-yl)-5-(propylamino)pyridine-2-carboxamide
CID 104640241
N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(pentylamino)pyridine-2-carboxamide
CID 109195891
N-butan-2-yl-5-(propylamino)pyridine-2-carboxamide
CID 109179241
5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-2-carboxamide
CID 109179197
5-(propylamino)-N-thiophen-3-ylpyridine-2-carboxamide
CID 104641679
4-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 83025254
N-(5-bromopyrazin-2-yl)-5-(propylamino)pyridine-2-carboxamide
CID 104641633
N-[2,6-di(propan-2-yl)phenyl]-5-(propylamino)pyridine-2-carboxamide
CID 109179407
N-[(5-methylpyrazin-2-yl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 104641173
N-(1,1-dioxothian-3-yl)-5-(propylamino)pyridine-2-carboxamide
CID 104641420
N-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 4065138
N-(3-fluorophenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179399

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)-5-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-methylpiperazin-1-yl)-5-(propylamino)pyridine-2-carboxamide (CID 104641991) is N-(4-methylpiperazin-1-yl)-5-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-5-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-5-(propylamino)pyridine-2-carboxamide is CCCNc1ccc(C(=O)NN2CCN(C)CC2)nc1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-5-(propylamino)pyridine-2-carboxamide?
The InChIKey is ZMULDUKGDBXTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-3-6-15-12-4-5-13(16-11-12)14(20)17-19-9-7-18(2)8-10-19/h4-5,11,15H,3,6-10H2,1-2H3,(H,17,20).
What are the key properties of N-(4-methylpiperazin-1-yl)-5-(propylamino)pyridine-2-carboxamide?
N-(4-methylpiperazin-1-yl)-5-(propylamino)pyridine-2-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)-5-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 104641991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).