N-methyl-4-[4-[(2S)-morpholin-2-yl]butanoyl]-6-[(1R)-1-phenylethyl]pyridine-2-carboxamide

C23H29N3O3 — CID 158532323

IUPACN-methyl-4-[4-[(2S)-morpholin-2-yl]butanoyl]-6-[(1R)-1-phenylethyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(C(=O)CCC[C@H]2CNCCO2)cc([C@H](C)c2ccccc2)n1
InChIInChI=1S/C23H29N3O3/c1-16(17-7-4-3-5-8-17)20-13-18(14-21(26-20)23(28)24-2)22(27)10-6-9-19-15-25-11-12-29-19/h3-5,7-8,13-14,16,19,25H,6,9-12,15H2,1-2H3,(H,24,28)/t16-,19+/m1/s1
InChIKeyKKSVMOXQJFCTGP-APWZRJJASA-N
MW395.50 g/mol
LogP2.93
Rot. Bonds8

About N-methyl-4-[4-[(2S)-morpholin-2-yl]butanoyl]-6-[(1R)-1-phenylethyl]pyridine-2-carboxamide

N-methyl-4-[4-[(2S)-morpholin-2-yl]butanoyl]-6-[(1R)-1-phenylethyl]pyridine-2-carboxamide (PubChem CID 158532323) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-methyl-4-[4-[(2S)-morpholin-2-yl]butanoyl]-6-[(1R)-1-phenylethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[4-[(2S)-morpholin-2-yl]butanoyl]-6-[(1R)-1-phenylethyl]pyridine-2-carboxamide
PubChem CID158532323
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-methyl-4-[4-[(2S)-morpholin-2-yl]butanoyl]-6-[(1R)-1-phenylethyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(C(=O)CCC[C@H]2CNCCO2)cc([C@H](C)c2ccccc2)n1
InChIInChI=1S/C23H29N3O3/c1-16(17-7-4-3-5-8-17)20-13-18(14-21(26-20)23(28)24-2)22(27)10-6-9-19-15-25-11-12-29-19/h3-5,7-8,13-14,16,19,25H,6,9-12,15H2,1-2H3,(H,24,28)/t16-,19+/m1/s1
InChIKeyKKSVMOXQJFCTGP-APWZRJJASA-N
XLogP2.93
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[(2S)-morpholin-2-yl]butanoyl]-6-[(1R)-1-phenylethyl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[4-[(2S)-morpholin-2-yl]butanoyl]-6-[(1R)-1-phenylethyl]pyridine-2-carboxamide (CID 158532323) is N-methyl-4-[4-[(2S)-morpholin-2-yl]butanoyl]-6-[(1R)-1-phenylethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[4-[(2S)-morpholin-2-yl]butanoyl]-6-[(1R)-1-phenylethyl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[4-[(2S)-morpholin-2-yl]butanoyl]-6-[(1R)-1-phenylethyl]pyridine-2-carboxamide is CNC(=O)c1cc(C(=O)CCC[C@H]2CNCCO2)cc([C@H](C)c2ccccc2)n1.
What is the InChIKey of N-methyl-4-[4-[(2S)-morpholin-2-yl]butanoyl]-6-[(1R)-1-phenylethyl]pyridine-2-carboxamide?
The InChIKey is KKSVMOXQJFCTGP-APWZRJJASA-N. The full InChI is InChI=1S/C23H29N3O3/c1-16(17-7-4-3-5-8-17)20-13-18(14-21(26-20)23(28)24-2)22(27)10-6-9-19-15-25-11-12-29-19/h3-5,7-8,13-14,16,19,25H,6,9-12,15H2,1-2H3,(H,24,28)/t16-,19+/m1/s1.
What are the key properties of N-methyl-4-[4-[(2S)-morpholin-2-yl]butanoyl]-6-[(1R)-1-phenylethyl]pyridine-2-carboxamide?
N-methyl-4-[4-[(2S)-morpholin-2-yl]butanoyl]-6-[(1R)-1-phenylethyl]pyridine-2-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[(2S)-morpholin-2-yl]butanoyl]-6-[(1R)-1-phenylethyl]pyridine-2-carboxamide is sourced from PubChem (CID 158532323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).