N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(7-chloro-3-methylideneisoquinolin-2-yl)methyl]pyridine-4-carboxamide

C24H22ClN5O — CID 118668722

IUPACN-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(7-chloro-3-methylideneisoquinolin-2-yl)methyl]pyridine-4-carboxamide
SMILESC=C1C=c2ccc(Cl)cc2=CN1Cc1cc(C(=O)NCc2cnc(N)cc2C)ccn1
InChIInChI=1S/C24H22ClN5O/c1-15-7-23(26)28-11-20(15)12-29-24(31)18-5-6-27-22(10-18)14-30-13-19-9-21(25)4-3-17(19)8-16(30)2/h3-11,13H,2,12,14H2,1H3,(H2,26,28)(H,29,31)
InChIKeyFGIXRPGSJIDDOI-UHFFFAOYSA-N
MW431.93 g/mol
LogP2.50
Rot. Bonds5

About N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(7-chloro-3-methylideneisoquinolin-2-yl)methyl]pyridine-4-carboxamide

N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(7-chloro-3-methylideneisoquinolin-2-yl)methyl]pyridine-4-carboxamide (PubChem CID 118668722) has the molecular formula C24H22ClN5O and a molecular weight of 431.93 g/mol. Its IUPAC name is N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(7-chloro-3-methylideneisoquinolin-2-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(7-chloro-3-methylideneisoquinolin-2-yl)methyl]pyridine-4-carboxamide
PubChem CID118668722
Molecular FormulaC24H22ClN5O
Molecular Weight431.93 g/mol
Exact Mass431.15
IUPAC NameN-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(7-chloro-3-methylideneisoquinolin-2-yl)methyl]pyridine-4-carboxamide
SMILESC=C1C=c2ccc(Cl)cc2=CN1Cc1cc(C(=O)NCc2cnc(N)cc2C)ccn1
InChIInChI=1S/C24H22ClN5O/c1-15-7-23(26)28-11-20(15)12-29-24(31)18-5-6-27-22(10-18)14-30-13-19-9-21(25)4-3-17(19)8-16(30)2/h3-11,13H,2,12,14H2,1H3,(H2,26,28)(H,29,31)
InChIKeyFGIXRPGSJIDDOI-UHFFFAOYSA-N
XLogP2.50
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.93
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(7-chloro-3-methylideneisoquinolin-2-yl)methyl]pyridine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118213222
N-[(6-amino-4-methyl-3-pyridinyl)methyl]-1-benzylpyrazole-4-carboxamide
CID 58081323
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-1-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloroindazol-1-yl)methyl]pyridine-4-carboxylic acid;methane;hydrochloride
CID 160846467
5-[[1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-4-methylpyridin-2-amine
CID 118669075
N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[[3-methylsulfonyl-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide
CID 118212586
2-(aminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 113277766
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxamide
CID 118665436
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide
CID 118665190
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 62153413
4-amino-3-methyl-N-(pyrazin-2-ylmethyl)benzamide
CID 110476152
5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane
CID 160509135
2-bromo-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114037435

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(7-chloro-3-methylideneisoquinolin-2-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(7-chloro-3-methylideneisoquinolin-2-yl)methyl]pyridine-4-carboxamide (CID 118668722) is N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(7-chloro-3-methylideneisoquinolin-2-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(7-chloro-3-methylideneisoquinolin-2-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(7-chloro-3-methylideneisoquinolin-2-yl)methyl]pyridine-4-carboxamide is C=C1C=c2ccc(Cl)cc2=CN1Cc1cc(C(=O)NCc2cnc(N)cc2C)ccn1.
What is the InChIKey of N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(7-chloro-3-methylideneisoquinolin-2-yl)methyl]pyridine-4-carboxamide?
The InChIKey is FGIXRPGSJIDDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O/c1-15-7-23(26)28-11-20(15)12-29-24(31)18-5-6-27-22(10-18)14-30-13-19-9-21(25)4-3-17(19)8-16(30)2/h3-11,13H,2,12,14H2,1H3,(H2,26,28)(H,29,31).
What are the key properties of N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(7-chloro-3-methylideneisoquinolin-2-yl)methyl]pyridine-4-carboxamide?
N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(7-chloro-3-methylideneisoquinolin-2-yl)methyl]pyridine-4-carboxamide has a molecular weight of 431.93 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(7-chloro-3-methylideneisoquinolin-2-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 118668722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).