1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxo-N-(4-pyridin-3-yloxyphenyl)pyridine-3-carboxamide

C23H26N4O3 — CID 172662023

IUPAC1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxo-N-(4-pyridin-3-yloxyphenyl)pyridine-3-carboxamide
SMILESCc1ccn(C(C)CN(C)C)c(=O)c1C(=O)Nc1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C23H26N4O3/c1-16-11-13-27(17(2)15-26(3)4)23(29)21(16)22(28)25-18-7-9-19(10-8-18)30-20-6-5-12-24-14-20/h5-14,17H,15H2,1-4H3,(H,25,28)
InChIKeyBPKKNWQDTZWNHP-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.72
Rot. Bonds7

About 1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxo-N-(4-pyridin-3-yloxyphenyl)pyridine-3-carboxamide

1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxo-N-(4-pyridin-3-yloxyphenyl)pyridine-3-carboxamide (PubChem CID 172662023) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxo-N-(4-pyridin-3-yloxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxo-N-(4-pyridin-3-yloxyphenyl)pyridine-3-carboxamide
PubChem CID172662023
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxo-N-(4-pyridin-3-yloxyphenyl)pyridine-3-carboxamide
SMILESCc1ccn(C(C)CN(C)C)c(=O)c1C(=O)Nc1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C23H26N4O3/c1-16-11-13-27(17(2)15-26(3)4)23(29)21(16)22(28)25-18-7-9-19(10-8-18)30-20-6-5-12-24-14-20/h5-14,17H,15H2,1-4H3,(H,25,28)
InChIKeyBPKKNWQDTZWNHP-UHFFFAOYSA-N
XLogP3.72
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(dimethylamino)propan-2-yl]-N-[4-(furan-2-ylmethoxy)phenyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172665805
1-[1-(dimethylamino)propan-2-yl]-4-methyl-N-(2-methyl-1-propylbenzimidazol-5-yl)-2-oxopyridine-3-carboxamide
CID 172661807
methyl 1-[[1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carbonyl]amino]cyclopropane-1-carboxylate
CID 172665005
1-[1-(dimethylamino)propan-2-yl]-N-(8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172660730
1,4,6-trimethyl-2-oxo-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 110862650
3,4-dimethoxy-N-(4-pyridin-3-yloxyphenyl)benzamide
CID 90643074
3-(3,6-diazabicyclo[3.1.1]heptane-3-carbonyl)-1-[1-(dimethylamino)propan-2-yl]-4-methylpyridin-2-one
CID 172655396
1-[1-(dimethylamino)propan-2-yl]-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172662811
N-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172658972
4-methyl-2-oxo-1-(2-phenylethyl)-N-pyridin-3-ylpyridine-3-carboxamide
CID 172656157
prop-2-enyl N-(4-pyridin-3-yloxyphenyl)carbamate
CID 110188366
4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172659920

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxo-N-(4-pyridin-3-yloxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxo-N-(4-pyridin-3-yloxyphenyl)pyridine-3-carboxamide (CID 172662023) is 1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxo-N-(4-pyridin-3-yloxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxo-N-(4-pyridin-3-yloxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxo-N-(4-pyridin-3-yloxyphenyl)pyridine-3-carboxamide is Cc1ccn(C(C)CN(C)C)c(=O)c1C(=O)Nc1ccc(Oc2cccnc2)cc1.
What is the InChIKey of 1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxo-N-(4-pyridin-3-yloxyphenyl)pyridine-3-carboxamide?
The InChIKey is BPKKNWQDTZWNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-16-11-13-27(17(2)15-26(3)4)23(29)21(16)22(28)25-18-7-9-19(10-8-18)30-20-6-5-12-24-14-20/h5-14,17H,15H2,1-4H3,(H,25,28).
What are the key properties of 1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxo-N-(4-pyridin-3-yloxyphenyl)pyridine-3-carboxamide?
1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxo-N-(4-pyridin-3-yloxyphenyl)pyridine-3-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxo-N-(4-pyridin-3-yloxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 172662023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).