(3S)-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-3-amine

C18H24N4 — CID 124975782

IUPAC(3S)-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-3-amine
SMILESCc1ccc(CN(C)[C@H]2CCCN(c3ccccn3)C2)cn1
InChIInChI=1S/C18H24N4/c1-15-8-9-16(12-20-15)13-21(2)17-6-5-11-22(14-17)18-7-3-4-10-19-18/h3-4,7-10,12,17H,5-6,11,13-14H2,1-2H3/t17-/m0/s1
InChIKeyLAQAGBCTFFFWSE-KRWDZBQOSA-N
MW296.42 g/mol
LogP2.89
Rot. Bonds4

About (3S)-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-3-amine

(3S)-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-3-amine (PubChem CID 124975782) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is (3S)-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-3-amine
PubChem CID124975782
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name(3S)-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-3-amine
SMILESCc1ccc(CN(C)[C@H]2CCCN(c3ccccn3)C2)cn1
InChIInChI=1S/C18H24N4/c1-15-8-9-16(12-20-15)13-21(2)17-6-5-11-22(14-17)18-7-3-4-10-19-18/h3-4,7-10,12,17H,5-6,11,13-14H2,1-2H3/t17-/m0/s1
InChIKeyLAQAGBCTFFFWSE-KRWDZBQOSA-N
XLogP2.89
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylpiperidin-3-amine
CID 124997613
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylpiperidin-3-amine
CID 110107200
(3S)-N-methyl-1-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-amine
CID 125000459
N-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)ethanesulfonamide
CID 110107181
N-[(4-chlorophenyl)methyl]-N-methyl-1-pyridin-2-ylazetidin-3-amine
CID 146074522
(3S)-N-methyl-1-(6-methylpyridazin-3-yl)-N-(2-pyridin-2-ylethyl)piperidin-3-amine
CID 95757599
N,6-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyridine-2-carboxamide
CID 124981919
2-(2-methoxyphenyl)-N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]acetamide
CID 124987309
N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]cyclopentanecarboxamide
CID 124952652
2-N,4-N,4-N-trimethyl-2-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 171994687
N-methyl-2-(5-methylthiophen-2-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]acetamide
CID 124975661
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
CID 95334841

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-3-amine?
The IUPAC name of (3S)-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-3-amine (CID 124975782) is (3S)-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-3-amine.
What is the SMILES notation for (3S)-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-3-amine?
The canonical SMILES for (3S)-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-3-amine is Cc1ccc(CN(C)[C@H]2CCCN(c3ccccn3)C2)cn1.
What is the InChIKey of (3S)-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-3-amine?
The InChIKey is LAQAGBCTFFFWSE-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H24N4/c1-15-8-9-16(12-20-15)13-21(2)17-6-5-11-22(14-17)18-7-3-4-10-19-18/h3-4,7-10,12,17H,5-6,11,13-14H2,1-2H3/t17-/m0/s1.
What are the key properties of (3S)-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-3-amine?
(3S)-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-3-amine has a molecular weight of 296.42 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-3-amine is sourced from PubChem (CID 124975782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).