5-chloro-4-methyl-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]pyridin-2-amine

C17H15ClN4 — CID 167983318

IUPAC5-chloro-4-methyl-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]pyridin-2-amine
SMILESCc1cc(NCc2cncc(-c3cccnc3)c2)ncc1Cl
InChIInChI=1S/C17H15ClN4/c1-12-5-17(22-11-16(12)18)21-8-13-6-15(10-20-7-13)14-3-2-4-19-9-14/h2-7,9-11H,8H2,1H3,(H,21,22)
InChIKeyBPOAUFWDQIFSQV-UHFFFAOYSA-N
MW310.79 g/mol
LogP4.11
Rot. Bonds4

About 5-chloro-4-methyl-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]pyridin-2-amine

5-chloro-4-methyl-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]pyridin-2-amine (PubChem CID 167983318) has the molecular formula C17H15ClN4 and a molecular weight of 310.79 g/mol. Its IUPAC name is 5-chloro-4-methyl-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-methyl-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]pyridin-2-amine
PubChem CID167983318
Molecular FormulaC17H15ClN4
Molecular Weight310.79 g/mol
Exact Mass310.10
IUPAC Name5-chloro-4-methyl-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]pyridin-2-amine
SMILESCc1cc(NCc2cncc(-c3cccnc3)c2)ncc1Cl
InChIInChI=1S/C17H15ClN4/c1-12-5-17(22-11-16(12)18)21-8-13-6-15(10-20-7-13)14-3-2-4-19-9-14/h2-7,9-11H,8H2,1H3,(H,21,22)
InChIKeyBPOAUFWDQIFSQV-UHFFFAOYSA-N
XLogP4.11
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 40787521
2,4-dichloro-5-methyl-N-[(2-pyridin-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91630155
N-benzyl-4,5-dichloropyridin-2-amine
CID 130637880
N-(2-chloro-4,6-dimethylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109283431
4-methyl-N-(pyridin-3-ylmethyl)quinolin-2-amine
CID 772620
2,3-dimethyl-5-pyridin-3-ylpyridine
CID 122608541
2-N-(2-chloro-4,6-dimethylphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893482
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171981
N-[(4-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine
CID 44820593
3-methyl-5-(5-pyridin-3-yl-3-pyridinyl)pyridine
CID 170233955
6-N-[(4-methylphenyl)methyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881246
2-fluoro-3-methyl-5-pyridin-3-ylpyridine
CID 46315737

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-4-methyl-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]pyridin-2-amine (CID 167983318) is 5-chloro-4-methyl-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-4-methyl-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-4-methyl-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]pyridin-2-amine is Cc1cc(NCc2cncc(-c3cccnc3)c2)ncc1Cl.
What is the InChIKey of 5-chloro-4-methyl-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]pyridin-2-amine?
The InChIKey is BPOAUFWDQIFSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4/c1-12-5-17(22-11-16(12)18)21-8-13-6-15(10-20-7-13)14-3-2-4-19-9-14/h2-7,9-11H,8H2,1H3,(H,21,22).
What are the key properties of 5-chloro-4-methyl-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]pyridin-2-amine?
5-chloro-4-methyl-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]pyridin-2-amine has a molecular weight of 310.79 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]pyridin-2-amine is sourced from PubChem (CID 167983318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).