5-(dimethylamino)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-3-carboxamide

C25H29N5O3 — CID 90408636

IUPAC5-(dimethylamino)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(N(C)C)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
InChIInChI=1S/C25H29N5O3/c1-17-5-6-20(27-24(31)18-11-21(28(2)3)15-26-14-18)13-22(17)19-12-23(25(32)29(4)16-19)30-7-9-33-10-8-30/h5-6,11-16H,7-10H2,1-4H3,(H,27,31)
InChIKeyFRNMUZNDLUBORX-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.91
Rot. Bonds5

About 5-(dimethylamino)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-3-carboxamide

5-(dimethylamino)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-3-carboxamide (PubChem CID 90408636) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 5-(dimethylamino)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-3-carboxamide
PubChem CID90408636
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name5-(dimethylamino)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(N(C)C)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
InChIInChI=1S/C25H29N5O3/c1-17-5-6-20(27-24(31)18-11-21(28(2)3)15-26-14-18)13-22(17)19-12-23(25(32)29(4)16-19)30-7-9-33-10-8-30/h5-6,11-16H,7-10H2,1-4H3,(H,27,31)
InChIKeyFRNMUZNDLUBORX-UHFFFAOYSA-N
XLogP2.91
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-(dimethylamino)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-3-carboxamide (CID 90408636) is 5-(dimethylamino)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(dimethylamino)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(dimethylamino)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cncc(N(C)C)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.
What is the InChIKey of 5-(dimethylamino)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-3-carboxamide?
The InChIKey is FRNMUZNDLUBORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-17-5-6-20(27-24(31)18-11-21(28(2)3)15-26-14-18)13-22(17)19-12-23(25(32)29(4)16-19)30-7-9-33-10-8-30/h5-6,11-16H,7-10H2,1-4H3,(H,27,31).
What are the key properties of 5-(dimethylamino)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-3-carboxamide?
5-(dimethylamino)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-3-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 90408636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).