3-(2-methyl-6-oxo-1-pyridinyl)-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]propanamide

C18H23N3O2 — CID 126437741

IUPAC3-(2-methyl-6-oxo-1-pyridinyl)-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]propanamide
SMILESCc1cccc(C[C@H](C)NC(=O)CCn2c(C)cccc2=O)n1
InChIInChI=1S/C18H23N3O2/c1-13-6-4-8-16(19-13)12-14(2)20-17(22)10-11-21-15(3)7-5-9-18(21)23/h4-9,14H,10-12H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeyKTJMIZKJKDQUJT-AWEZNQCLSA-N
MW313.40 g/mol
LogP2.00
Rot. Bonds6

About 3-(2-methyl-6-oxo-1-pyridinyl)-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]propanamide

3-(2-methyl-6-oxo-1-pyridinyl)-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]propanamide (PubChem CID 126437741) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-(2-methyl-6-oxo-1-pyridinyl)-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-(2-methyl-6-oxo-1-pyridinyl)-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]propanamide
PubChem CID126437741
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-(2-methyl-6-oxo-1-pyridinyl)-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]propanamide
SMILESCc1cccc(C[C@H](C)NC(=O)CCn2c(C)cccc2=O)n1
InChIInChI=1S/C18H23N3O2/c1-13-6-4-8-16(19-13)12-14(2)20-17(22)10-11-21-15(3)7-5-9-18(21)23/h4-9,14H,10-12H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeyKTJMIZKJKDQUJT-AWEZNQCLSA-N
XLogP2.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-6-oxo-1-pyridinyl)-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]propanamide?
The IUPAC name of 3-(2-methyl-6-oxo-1-pyridinyl)-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]propanamide (CID 126437741) is 3-(2-methyl-6-oxo-1-pyridinyl)-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]propanamide.
What is the SMILES notation for 3-(2-methyl-6-oxo-1-pyridinyl)-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]propanamide?
The canonical SMILES for 3-(2-methyl-6-oxo-1-pyridinyl)-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]propanamide is Cc1cccc(C[C@H](C)NC(=O)CCn2c(C)cccc2=O)n1.
What is the InChIKey of 3-(2-methyl-6-oxo-1-pyridinyl)-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]propanamide?
The InChIKey is KTJMIZKJKDQUJT-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-6-4-8-16(19-13)12-14(2)20-17(22)10-11-21-15(3)7-5-9-18(21)23/h4-9,14H,10-12H2,1-3H3,(H,20,22)/t14-/m0/s1.
What are the key properties of 3-(2-methyl-6-oxo-1-pyridinyl)-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]propanamide?
3-(2-methyl-6-oxo-1-pyridinyl)-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]propanamide has a molecular weight of 313.40 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-6-oxo-1-pyridinyl)-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]propanamide is sourced from PubChem (CID 126437741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).