6-methyl-N-(5-piperazin-1-yl-2-pyridinyl)pyridine-3-carboxamide;dihydrochloride

C16H21Cl2N5O — CID 119494408

IUPAC6-methyl-N-(5-piperazin-1-yl-2-pyridinyl)pyridine-3-carboxamide;dihydrochloride
SMILESCc1ccc(C(=O)Nc2ccc(N3CCNCC3)cn2)cn1.Cl.Cl
InChIInChI=1S/C16H19N5O.2ClH/c1-12-2-3-13(10-18-12)16(22)20-15-5-4-14(11-19-15)21-8-6-17-7-9-21;;/h2-5,10-11,17H,6-9H2,1H3,(H,19,20,22);2*1H
InChIKeyKGFWHHZWVKOMEB-UHFFFAOYSA-N
MW370.28 g/mol
LogP2.29
Rot. Bonds3

About 6-methyl-N-(5-piperazin-1-yl-2-pyridinyl)pyridine-3-carboxamide;dihydrochloride

6-methyl-N-(5-piperazin-1-yl-2-pyridinyl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 119494408) has the molecular formula C16H21Cl2N5O and a molecular weight of 370.28 g/mol. Its IUPAC name is 6-methyl-N-(5-piperazin-1-yl-2-pyridinyl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name6-methyl-N-(5-piperazin-1-yl-2-pyridinyl)pyridine-3-carboxamide;dihydrochloride
PubChem CID119494408
Molecular FormulaC16H21Cl2N5O
Molecular Weight370.28 g/mol
Exact Mass369.11
IUPAC Name6-methyl-N-(5-piperazin-1-yl-2-pyridinyl)pyridine-3-carboxamide;dihydrochloride
SMILESCc1ccc(C(=O)Nc2ccc(N3CCNCC3)cn2)cn1.Cl.Cl
InChIInChI=1S/C16H19N5O.2ClH/c1-12-2-3-13(10-18-12)16(22)20-15-5-4-14(11-19-15)21-8-6-17-7-9-21;;/h2-5,10-11,17H,6-9H2,1H3,(H,19,20,22);2*1H
InChIKeyKGFWHHZWVKOMEB-UHFFFAOYSA-N
XLogP2.29
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-piperazin-1-yl-2-pyridinyl)-4-propan-2-ylbenzamide;hydrochloride
CID 119494632
N-(5-piperazin-1-yl-2-pyridinyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119494136
3,4-dichloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494091
2-oxo-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyridine-4-carboxamide;hydrochloride
CID 119494214
2,4-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)-1,3-oxazole-5-carboxamide;hydrochloride
CID 119494520
N-(5-piperazin-1-yl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 119494454
2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494622
5-methyl-N-(5-piperazin-1-yl-2-pyridinyl)furan-2-carboxamide
CID 119494477
3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494063
1-methyl-N-(5-piperazin-1-yl-2-pyridinyl)cyclopropane-1-carboxamide;hydrochloride
CID 119494178
3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494679
N-(5-piperazin-1-yl-2-pyridinyl)-1,2-oxazole-3-carboxamide
CID 119494181

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(5-piperazin-1-yl-2-pyridinyl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 6-methyl-N-(5-piperazin-1-yl-2-pyridinyl)pyridine-3-carboxamide;dihydrochloride (CID 119494408) is 6-methyl-N-(5-piperazin-1-yl-2-pyridinyl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 6-methyl-N-(5-piperazin-1-yl-2-pyridinyl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 6-methyl-N-(5-piperazin-1-yl-2-pyridinyl)pyridine-3-carboxamide;dihydrochloride is Cc1ccc(C(=O)Nc2ccc(N3CCNCC3)cn2)cn1.Cl.Cl.
What is the InChIKey of 6-methyl-N-(5-piperazin-1-yl-2-pyridinyl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is KGFWHHZWVKOMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O.2ClH/c1-12-2-3-13(10-18-12)16(22)20-15-5-4-14(11-19-15)21-8-6-17-7-9-21;;/h2-5,10-11,17H,6-9H2,1H3,(H,19,20,22);2*1H.
What are the key properties of 6-methyl-N-(5-piperazin-1-yl-2-pyridinyl)pyridine-3-carboxamide;dihydrochloride?
6-methyl-N-(5-piperazin-1-yl-2-pyridinyl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 370.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(5-piperazin-1-yl-2-pyridinyl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119494408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).