N-[(3R)-3-methoxybutyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide

C16H26N4O2 — CID 97212701

IUPACN-[(3R)-3-methoxybutyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCO[C@H](C)CCNC(=O)c1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C16H26N4O2/c1-13(22-3)4-6-18-16(21)14-5-7-17-15(12-14)20-10-8-19(2)9-11-20/h5,7,12-13H,4,6,8-11H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyTXFGVHIRZLVLRB-CYBMUJFWSA-N
MW306.41 g/mol
LogP0.99
Rot. Bonds6

About N-[(3R)-3-methoxybutyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide

N-[(3R)-3-methoxybutyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (PubChem CID 97212701) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(3R)-3-methoxybutyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-methoxybutyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
PubChem CID97212701
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[(3R)-3-methoxybutyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCO[C@H](C)CCNC(=O)c1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C16H26N4O2/c1-13(22-3)4-6-18-16(21)14-5-7-17-15(12-14)20-10-8-19(2)9-11-20/h5,7,12-13H,4,6,8-11H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyTXFGVHIRZLVLRB-CYBMUJFWSA-N
XLogP0.99
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride
CID 119549443
N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 87953358
N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 111485980
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109174454
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
(2S)-2-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]hexanoic acid
CID 120614998
N-(1-amino-2-methylpropan-2-yl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119524654
ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate
CID 2762483
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 109165662
2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166760
N-(4-aminocyclohexyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119478490
2-(4-methylpiperazin-1-yl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 119453711

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-methoxybutyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(3R)-3-methoxybutyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (CID 97212701) is N-[(3R)-3-methoxybutyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(3R)-3-methoxybutyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(3R)-3-methoxybutyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is CO[C@H](C)CCNC(=O)c1ccnc(N2CCN(C)CC2)c1.
What is the InChIKey of N-[(3R)-3-methoxybutyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The InChIKey is TXFGVHIRZLVLRB-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-13(22-3)4-6-18-16(21)14-5-7-17-15(12-14)20-10-8-19(2)9-11-20/h5,7,12-13H,4,6,8-11H2,1-3H3,(H,18,21)/t13-/m1/s1.
What are the key properties of N-[(3R)-3-methoxybutyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
N-[(3R)-3-methoxybutyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-methoxybutyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 97212701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).