1,5-dimethyl-N-[(1R)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-6-oxo-N-[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine-3-carboxamide

C29H34N4O4 — CID 156613426

IUPAC1,5-dimethyl-N-[(1R)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-6-oxo-N-[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine-3-carboxamide
SMILESCNC(=O)[C@@H](C1CCOCC1)N(C[C@H](c1ccccc1)c1ccccn1)C(=O)c1cc(C)c(=O)n(C)c1
InChIInChI=1S/C29H34N4O4/c1-20-17-23(18-32(3)28(20)35)29(36)33(26(27(34)30-2)22-12-15-37-16-13-22)19-24(21-9-5-4-6-10-21)25-11-7-8-14-31-25/h4-11,14,17-18,22,24,26H,12-13,15-16,19H2,1-3H3,(H,30,34)/t24-,26-/m1/s1
InChIKeyMDCZQITXTAMNNV-AOYPEHQESA-N
MW502.62 g/mol
LogP2.90
Rot. Bonds8

About 1,5-dimethyl-N-[(1R)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-6-oxo-N-[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine-3-carboxamide

1,5-dimethyl-N-[(1R)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-6-oxo-N-[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine-3-carboxamide (PubChem CID 156613426) has the molecular formula C29H34N4O4 and a molecular weight of 502.62 g/mol. Its IUPAC name is 1,5-dimethyl-N-[(1R)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-6-oxo-N-[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[(1R)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-6-oxo-N-[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine-3-carboxamide
PubChem CID156613426
Molecular FormulaC29H34N4O4
Molecular Weight502.62 g/mol
Exact Mass502.26
IUPAC Name1,5-dimethyl-N-[(1R)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-6-oxo-N-[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine-3-carboxamide
SMILESCNC(=O)[C@@H](C1CCOCC1)N(C[C@H](c1ccccc1)c1ccccn1)C(=O)c1cc(C)c(=O)n(C)c1
InChIInChI=1S/C29H34N4O4/c1-20-17-23(18-32(3)28(20)35)29(36)33(26(27(34)30-2)22-12-15-37-16-13-22)19-24(21-9-5-4-6-10-21)25-11-7-8-14-31-25/h4-11,14,17-18,22,24,26H,12-13,15-16,19H2,1-3H3,(H,30,34)/t24-,26-/m1/s1
InChIKeyMDCZQITXTAMNNV-AOYPEHQESA-N
XLogP2.90
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.62
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,5-dimethyl-N-[(1R)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-6-oxo-N-[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 6436051
CID 6436051
CID 44353633
CID 44353633
CID 44577896
CID 44577896
CID 52918298
CID 52918298
CID 71458767
CID 71458767
CID 71460579
CID 71460579
CID 71462290
CID 71462290
CID 71462292
CID 71462292
CID 71462293
CID 71462293
CID 164609399
CID 164609399
CID 164613053
CID 164613053
CID 164613362
CID 164613362

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[(1R)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-6-oxo-N-[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[(1R)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-6-oxo-N-[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine-3-carboxamide (CID 156613426) is 1,5-dimethyl-N-[(1R)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-6-oxo-N-[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[(1R)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-6-oxo-N-[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[(1R)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-6-oxo-N-[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine-3-carboxamide is CNC(=O)[C@@H](C1CCOCC1)N(C[C@H](c1ccccc1)c1ccccn1)C(=O)c1cc(C)c(=O)n(C)c1.
What is the InChIKey of 1,5-dimethyl-N-[(1R)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-6-oxo-N-[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine-3-carboxamide?
The InChIKey is MDCZQITXTAMNNV-AOYPEHQESA-N. The full InChI is InChI=1S/C29H34N4O4/c1-20-17-23(18-32(3)28(20)35)29(36)33(26(27(34)30-2)22-12-15-37-16-13-22)19-24(21-9-5-4-6-10-21)25-11-7-8-14-31-25/h4-11,14,17-18,22,24,26H,12-13,15-16,19H2,1-3H3,(H,30,34)/t24-,26-/m1/s1.
What are the key properties of 1,5-dimethyl-N-[(1R)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-6-oxo-N-[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine-3-carboxamide?
1,5-dimethyl-N-[(1R)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-6-oxo-N-[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine-3-carboxamide has a molecular weight of 502.62 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[(1R)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-6-oxo-N-[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 156613426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).