2-(4-methylpiperazin-1-yl)-N-pyrrolidin-3-ylpyridine-4-carboxamide

C15H23N5O — CID 119453711

IUPAC2-(4-methylpiperazin-1-yl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)NC3CCNC3)ccn2)CC1
InChIInChI=1S/C15H23N5O/c1-19-6-8-20(9-7-19)14-10-12(2-5-17-14)15(21)18-13-3-4-16-11-13/h2,5,10,13,16H,3-4,6-9,11H2,1H3,(H,18,21)
InChIKeyMIIGAKIJJYWCAX-UHFFFAOYSA-N
MW289.38 g/mol
LogP-0.07
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)-N-pyrrolidin-3-ylpyridine-4-carboxamide

2-(4-methylpiperazin-1-yl)-N-pyrrolidin-3-ylpyridine-4-carboxamide (PubChem CID 119453711) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-pyrrolidin-3-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
PubChem CID119453711
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name2-(4-methylpiperazin-1-yl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)NC3CCNC3)ccn2)CC1
InChIInChI=1S/C15H23N5O/c1-19-6-8-20(9-7-19)14-10-12(2-5-17-14)15(21)18-13-3-4-16-11-13/h2,5,10,13,16H,3-4,6-9,11H2,1H3,(H,18,21)
InChIKeyMIIGAKIJJYWCAX-UHFFFAOYSA-N
XLogP-0.07
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-piperidin-3-ylpyridine-4-carboxamide
CID 119428584
N-(4-aminocyclohexyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119478490
2-(4-methylpiperazin-1-yl)-N-[(3R)-oxan-3-yl]pyridine-4-carboxamide
CID 96526874
2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)pyridine-4-carboxamide
CID 119464005
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone;dihydrochloride
CID 120659972
2-(acetamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 112530809
N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 119424585
N-(1,1-dioxothiolan-3-yl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168928
N-(1-amino-2-methylpropan-2-yl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119524654
2-(methanesulfonamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 112530815
N-cyclopentyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridine-4-carboxamide
CID 109166043

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-pyrrolidin-3-ylpyridine-4-carboxamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-pyrrolidin-3-ylpyridine-4-carboxamide (CID 119453711) is 2-(4-methylpiperazin-1-yl)-N-pyrrolidin-3-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-pyrrolidin-3-ylpyridine-4-carboxamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-pyrrolidin-3-ylpyridine-4-carboxamide is CN1CCN(c2cc(C(=O)NC3CCNC3)ccn2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-pyrrolidin-3-ylpyridine-4-carboxamide?
The InChIKey is MIIGAKIJJYWCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-19-6-8-20(9-7-19)14-10-12(2-5-17-14)15(21)18-13-3-4-16-11-13/h2,5,10,13,16H,3-4,6-9,11H2,1H3,(H,18,21).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-pyrrolidin-3-ylpyridine-4-carboxamide?
2-(4-methylpiperazin-1-yl)-N-pyrrolidin-3-ylpyridine-4-carboxamide has a molecular weight of 289.38 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-pyrrolidin-3-ylpyridine-4-carboxamide is sourced from PubChem (CID 119453711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).