1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride

C12H15Cl2N3 — CID 163329891

IUPAC1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
SMILESCl.Cl.c1cncc(CNCc2ccncc2)c1
InChIInChI=1S/C12H13N3.2ClH/c1-2-12(9-14-5-1)10-15-8-11-3-6-13-7-4-11;;/h1-7,9,15H,8,10H2;2*1H
InChIKeyVFKYUVGZMNOPQN-UHFFFAOYSA-N
MW272.18 g/mol
LogP2.61
Rot. Bonds4

About 1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride

1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride (PubChem CID 163329891) has the molecular formula C12H15Cl2N3 and a molecular weight of 272.18 g/mol. Its IUPAC name is 1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride.

Molecular Properties

Compound Name1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
PubChem CID163329891
Molecular FormulaC12H15Cl2N3
Molecular Weight272.18 g/mol
Exact Mass271.06
IUPAC Name1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
SMILESCl.Cl.c1cncc(CNCc2ccncc2)c1
InChIInChI=1S/C12H13N3.2ClH/c1-2-12(9-14-5-1)10-15-8-11-3-6-13-7-4-11;;/h1-7,9,15H,8,10H2;2*1H
InChIKeyVFKYUVGZMNOPQN-UHFFFAOYSA-N
XLogP2.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590
2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine
CID 159685342
1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine;dihydrochloride
CID 163328741
1-pyridin-3-yl-N-(pyrimidin-4-ylmethyl)methanamine
CID 62760396
4-[(pyridin-3-ylmethylamino)methyl]benzonitrile
CID 28671240
1-(4-cyclopropylphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 79978828
N-[(2,6-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine chloride
CID 21233303
N-[(3,5-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine
CID 54803200
N-[(2-chlorophenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride
CID 154879239
N-methyl-1-pyridin-3-ylmethanamine;hydrochloride
CID 17290665
N-(pyridin-3-ylmethyl)propan-1-amine;yttrium
CID 59057937
N,N-diethyl-4-[(pyridin-3-ylmethylamino)methyl]aniline
CID 1075944

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride?
The IUPAC name of 1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride (CID 163329891) is 1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride.
What is the SMILES notation for 1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride?
The canonical SMILES for 1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride is Cl.Cl.c1cncc(CNCc2ccncc2)c1.
What is the InChIKey of 1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride?
The InChIKey is VFKYUVGZMNOPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3.2ClH/c1-2-12(9-14-5-1)10-15-8-11-3-6-13-7-4-11;;/h1-7,9,15H,8,10H2;2*1H.
What are the key properties of 1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride?
1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride has a molecular weight of 272.18 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride is sourced from PubChem (CID 163329891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).