N-[5-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]isoquinoline-6-carboxamide

C22H25N5O — CID 171492120

IUPACN-[5-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]isoquinoline-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3cnccc3c2)nc1CN1CCN(C)CC1
InChIInChI=1S/C22H25N5O/c1-16-3-6-21(24-20(16)15-27-11-9-26(2)10-12-27)25-22(28)18-4-5-19-14-23-8-7-17(19)13-18/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,25,28)
InChIKeyRAKKFMMOYZLNLR-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.94
Rot. Bonds4

About N-[5-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]isoquinoline-6-carboxamide

N-[5-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]isoquinoline-6-carboxamide (PubChem CID 171492120) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[5-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]isoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]isoquinoline-6-carboxamide
PubChem CID171492120
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-[5-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]isoquinoline-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3cnccc3c2)nc1CN1CCN(C)CC1
InChIInChI=1S/C22H25N5O/c1-16-3-6-21(24-20(16)15-27-11-9-26(2)10-12-27)25-22(28)18-4-5-19-14-23-8-7-17(19)13-18/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,25,28)
InChIKeyRAKKFMMOYZLNLR-UHFFFAOYSA-N
XLogP2.94
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-methyl-6-[2-methyl-1-(4-methylpiperazin-1-yl)propyl]-2-pyridinyl]isoquinoline-6-carboxamide
CID 171492102
N-[5-methyl-6-(6-methyl-7-oxothieno[2,3-c]pyridin-4-yl)-2-pyridinyl]isoquinoline-6-carboxamide
CID 171492105
N-[6-(2-methoxyphenyl)-5-methyl-2-pyridinyl]isoquinoline-6-carboxamide
CID 171492136
N-ethylisoquinoline-6-carboxamide
CID 110485080
N-(3-iodo-4-methylphenyl)-3-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 129061283
N-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-methyl-3-(3-methylimidazol-4-yl)benzamide
CID 70998929
N-[5-methyl-6-(5-methyl-4-oxo-3H-imidazo[4,5-c]pyridin-7-yl)-2-pyridinyl]isoquinoline-6-carboxamide
CID 171491985
N-(1,3-thiazol-2-yl)isoquinoline-6-carboxamide
CID 110485084
4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-quinazolin-6-ylbenzamide
CID 11606053
3-(1,1-difluoroethyl)-N-(4,5-dimethyl-2-pyridinyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 90305997
CID 58148335
CID 58148335
N-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinoline-6-carboxamide
CID 110485085

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]isoquinoline-6-carboxamide?
The IUPAC name of N-[5-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]isoquinoline-6-carboxamide (CID 171492120) is N-[5-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]isoquinoline-6-carboxamide.
What is the SMILES notation for N-[5-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]isoquinoline-6-carboxamide?
The canonical SMILES for N-[5-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]isoquinoline-6-carboxamide is Cc1ccc(NC(=O)c2ccc3cnccc3c2)nc1CN1CCN(C)CC1.
What is the InChIKey of N-[5-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]isoquinoline-6-carboxamide?
The InChIKey is RAKKFMMOYZLNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-16-3-6-21(24-20(16)15-27-11-9-26(2)10-12-27)25-22(28)18-4-5-19-14-23-8-7-17(19)13-18/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,25,28).
What are the key properties of N-[5-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]isoquinoline-6-carboxamide?
N-[5-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]isoquinoline-6-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]isoquinoline-6-carboxamide is sourced from PubChem (CID 171492120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).