(2S)-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide

C15H20N4O2 — CID 126446714

IUPAC(2S)-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide
SMILESCOc1ccnc(CN(C)C(=O)[C@H](C)n2ccnc2C)c1
InChIInChI=1S/C15H20N4O2/c1-11(19-8-7-16-12(19)2)15(20)18(3)10-13-9-14(21-4)5-6-17-13/h5-9,11H,10H2,1-4H3/t11-/m0/s1
InChIKeyAMOUMBYVDFUDDP-NSHDSACASA-N
MW288.35 g/mol
LogP1.81
Rot. Bonds5

About (2S)-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide

(2S)-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide (PubChem CID 126446714) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (2S)-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide
PubChem CID126446714
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(2S)-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide
SMILESCOc1ccnc(CN(C)C(=O)[C@H](C)n2ccnc2C)c1
InChIInChI=1S/C15H20N4O2/c1-11(19-8-7-16-12(19)2)15(20)18(3)10-13-9-14(21-4)5-6-17-13/h5-9,11H,10H2,1-4H3/t11-/m0/s1
InChIKeyAMOUMBYVDFUDDP-NSHDSACASA-N
XLogP1.81
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide (CID 126446714) is (2S)-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide is COc1ccnc(CN(C)C(=O)[C@H](C)n2ccnc2C)c1.
What is the InChIKey of (2S)-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide?
The InChIKey is AMOUMBYVDFUDDP-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11(19-8-7-16-12(19)2)15(20)18(3)10-13-9-14(21-4)5-6-17-13/h5-9,11H,10H2,1-4H3/t11-/m0/s1.
What are the key properties of (2S)-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide?
(2S)-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide has a molecular weight of 288.35 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide is sourced from PubChem (CID 126446714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).