3-chloro-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridin-2-amine

C17H15ClN4O — CID 56739901

IUPAC3-chloro-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridin-2-amine
SMILESCc1ccc(Oc2ncccc2CNc2ncccc2Cl)cn1
InChIInChI=1S/C17H15ClN4O/c1-12-6-7-14(11-21-12)23-17-13(4-2-9-20-17)10-22-16-15(18)5-3-8-19-16/h2-9,11H,10H2,1H3,(H,19,22)
InChIKeyBTFDVBADKSMNOR-UHFFFAOYSA-N
MW326.79 g/mol
LogP4.24
Rot. Bonds5

About 3-chloro-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridin-2-amine

3-chloro-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridin-2-amine (PubChem CID 56739901) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 3-chloro-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridin-2-amine
PubChem CID56739901
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name3-chloro-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridin-2-amine
SMILESCc1ccc(Oc2ncccc2CNc2ncccc2Cl)cn1
InChIInChI=1S/C17H15ClN4O/c1-12-6-7-14(11-21-12)23-17-13(4-2-9-20-17)10-22-16-15(18)5-3-8-19-16/h2-9,11H,10H2,1H3,(H,19,22)
InChIKeyBTFDVBADKSMNOR-UHFFFAOYSA-N
XLogP4.24
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-2-amine
CID 62287354
(2S)-2-(4-chloropyrazol-1-yl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propanamide
CID 95226722
N-[(2,3-dimethylimidazol-4-yl)methyl]-1-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanamine
CID 45240216
2-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide
CID 56755106
3,3,3-trifluoro-2-hydroxy-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propanamide
CID 56748690
2-methoxy-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 42521293
3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine
CID 55189857
6-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 25288779
5-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-4-amine
CID 105369277
2-[[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methylamino]methyl]-1H-quinolin-4-one
CID 45194773
N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 42396037
3-chloro-N-[(6-methylpyrimidin-4-yl)methyl]pyridin-2-amine
CID 122270483

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridin-2-amine?
The IUPAC name of 3-chloro-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridin-2-amine (CID 56739901) is 3-chloro-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridin-2-amine is Cc1ccc(Oc2ncccc2CNc2ncccc2Cl)cn1.
What is the InChIKey of 3-chloro-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridin-2-amine?
The InChIKey is BTFDVBADKSMNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-12-6-7-14(11-21-12)23-17-13(4-2-9-20-17)10-22-16-15(18)5-3-8-19-16/h2-9,11H,10H2,1H3,(H,19,22).
What are the key properties of 3-chloro-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridin-2-amine?
3-chloro-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridin-2-amine has a molecular weight of 326.79 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridin-2-amine is sourced from PubChem (CID 56739901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).