N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine

C12H13N3 — CID 114956500

IUPACN-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine
SMILESCc1ccncc1CNc1ccncc1
InChIInChI=1S/C12H13N3/c1-10-2-5-14-8-11(10)9-15-12-3-6-13-7-4-12/h2-8H,9H2,1H3,(H,13,15)
InChIKeySSCXRFXVVWTIEF-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.40
Rot. Bonds3

About N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine

N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine (PubChem CID 114956500) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine
PubChem CID114956500
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC NameN-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine
SMILESCc1ccncc1CNc1ccncc1
InChIInChI=1S/C12H13N3/c1-10-2-5-14-8-11(10)9-15-12-3-6-13-7-4-12/h2-8H,9H2,1H3,(H,13,15)
InChIKeySSCXRFXVVWTIEF-UHFFFAOYSA-N
XLogP2.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956528
4-ethyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline
CID 114078614
5-iodo-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956718
4,6-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956711
N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride
CID 171316354
3-methyl-N-[(4-methyl-3-pyridinyl)methyl]pentan-3-amine
CID 103829141
N-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydro-2-benzofuran-5-amine
CID 114078615
N-[(4-methyl-3-pyridinyl)methyl]pyridin-2-amine
CID 91611248
N,N-dimethyl-4-[(4-methyl-3-pyridinyl)methylamino]pyridine-2-carboxamide
CID 114956582
2-amino-4-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 114954565
2-amino-3-methyl-5-[(4-methyl-3-pyridinyl)methylamino]benzoic acid
CID 114954612
(4-methyl-3-pyridinyl)methylcyanamide
CID 114955581

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine?
The IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine (CID 114956500) is N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine.
What is the SMILES notation for N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine?
The canonical SMILES for N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine is Cc1ccncc1CNc1ccncc1.
What is the InChIKey of N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine?
The InChIKey is SSCXRFXVVWTIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-10-2-5-14-8-11(10)9-15-12-3-6-13-7-4-12/h2-8H,9H2,1H3,(H,13,15).
What are the key properties of N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine?
N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine has a molecular weight of 199.26 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine is sourced from PubChem (CID 114956500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).