N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide

C18H29N3O — CID 97191951

IUPACN-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide
SMILESCc1cc(C)nc(CN(C)C(=O)CC[C@@H]2CCCCN2C)c1
InChIInChI=1S/C18H29N3O/c1-14-11-15(2)19-16(12-14)13-21(4)18(22)9-8-17-7-5-6-10-20(17)3/h11-12,17H,5-10,13H2,1-4H3/t17-/m0/s1
InChIKeyRZWFHFHWVBEIHQ-KRWDZBQOSA-N
MW303.45 g/mol
LogP2.92
Rot. Bonds5

About N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide

N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide (PubChem CID 97191951) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide
PubChem CID97191951
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide
SMILESCc1cc(C)nc(CN(C)C(=O)CC[C@@H]2CCCCN2C)c1
InChIInChI=1S/C18H29N3O/c1-14-11-15(2)19-16(12-14)13-21(4)18(22)9-8-17-7-5-6-10-20(17)3/h11-12,17H,5-10,13H2,1-4H3/t17-/m0/s1
InChIKeyRZWFHFHWVBEIHQ-KRWDZBQOSA-N
XLogP2.92
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-[(2R)-1-methylpiperidin-2-yl]-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]propanamide
CID 97189300
N-methyl-3-(1-methylpiperidin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 50956753
N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-(2-oxoazepan-1-yl)propanamide
CID 131922700
N-methyl-3-(1-methylpiperidin-2-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide
CID 50967172
N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methylazetidine-2-carboxamide
CID 131905864
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97197890
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 95204074
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97192165
N-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 97197758
3-[(2R)-1-methylpiperidin-2-yl]-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide
CID 97210003
3-cyclopentyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 51077919
N-benzyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 46992210

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide?
The IUPAC name of N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide (CID 97191951) is N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide?
The canonical SMILES for N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide is Cc1cc(C)nc(CN(C)C(=O)CC[C@@H]2CCCCN2C)c1.
What is the InChIKey of N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide?
The InChIKey is RZWFHFHWVBEIHQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H29N3O/c1-14-11-15(2)19-16(12-14)13-21(4)18(22)9-8-17-7-5-6-10-20(17)3/h11-12,17H,5-10,13H2,1-4H3/t17-/m0/s1.
What are the key properties of N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide?
N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide has a molecular weight of 303.45 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide is sourced from PubChem (CID 97191951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).