5-amino-2-(4-propylpiperazin-1-yl)pyridine-4-carboxamide

C13H21N5O — CID 114090039

IUPAC5-amino-2-(4-propylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCCCN1CCN(c2cc(C(N)=O)c(N)cn2)CC1
InChIInChI=1S/C13H21N5O/c1-2-3-17-4-6-18(7-5-17)12-8-10(13(15)19)11(14)9-16-12/h8-9H,2-7,14H2,1H3,(H2,15,19)
InChIKeyRCUCKKOABOXCJC-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.29
Rot. Bonds4

About 5-amino-2-(4-propylpiperazin-1-yl)pyridine-4-carboxamide

5-amino-2-(4-propylpiperazin-1-yl)pyridine-4-carboxamide (PubChem CID 114090039) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-amino-2-(4-propylpiperazin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-(4-propylpiperazin-1-yl)pyridine-4-carboxamide
PubChem CID114090039
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name5-amino-2-(4-propylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCCCN1CCN(c2cc(C(N)=O)c(N)cn2)CC1
InChIInChI=1S/C13H21N5O/c1-2-3-17-4-6-18(7-5-17)12-8-10(13(15)19)11(14)9-16-12/h8-9H,2-7,14H2,1H3,(H2,15,19)
InChIKeyRCUCKKOABOXCJC-UHFFFAOYSA-N
XLogP0.29
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Pirenzepine
CID 4848
(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
Unii-O3pen5V8WL
CID 453331
3H,4H-pyrido(3,4-d)pyrimidin-4-one
CID 135567106
5,11-Dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 70169
2-Hydroxy nevirapine
CID 10850461
BI-RJ 70
CID 72347
N11-Ethyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
CID 453243
N11-Ethyl-N5-methyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453307
N11-Ethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453308

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-propylpiperazin-1-yl)pyridine-4-carboxamide?
The IUPAC name of 5-amino-2-(4-propylpiperazin-1-yl)pyridine-4-carboxamide (CID 114090039) is 5-amino-2-(4-propylpiperazin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for 5-amino-2-(4-propylpiperazin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for 5-amino-2-(4-propylpiperazin-1-yl)pyridine-4-carboxamide is CCCN1CCN(c2cc(C(N)=O)c(N)cn2)CC1.
What is the InChIKey of 5-amino-2-(4-propylpiperazin-1-yl)pyridine-4-carboxamide?
The InChIKey is RCUCKKOABOXCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-2-3-17-4-6-18(7-5-17)12-8-10(13(15)19)11(14)9-16-12/h8-9H,2-7,14H2,1H3,(H2,15,19).
What are the key properties of 5-amino-2-(4-propylpiperazin-1-yl)pyridine-4-carboxamide?
5-amino-2-(4-propylpiperazin-1-yl)pyridine-4-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-propylpiperazin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114090039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).