N-[3-[[2-(dimethylamino)acetyl]amino]-4-prop-1-en-2-ylphenyl]-2-[(2-methoxypyrimidin-4-yl)methylamino]pyridine-3-carboxamide

C25H29N7O3 — CID 89089500

IUPACN-[3-[[2-(dimethylamino)acetyl]amino]-4-prop-1-en-2-ylphenyl]-2-[(2-methoxypyrimidin-4-yl)methylamino]pyridine-3-carboxamide
SMILESC=C(C)c1ccc(NC(=O)c2cccnc2NCc2ccnc(OC)n2)cc1NC(=O)CN(C)C
InChIInChI=1S/C25H29N7O3/c1-16(2)19-9-8-17(13-21(19)31-22(33)15-32(3)4)29-24(34)20-7-6-11-26-23(20)28-14-18-10-12-27-25(30-18)35-5/h6-13H,1,14-15H2,2-5H3,(H,26,28)(H,29,34)(H,31,33)
InChIKeyFUKNSFIOTKATSZ-UHFFFAOYSA-N
MW475.55 g/mol
LogP3.28
Rot. Bonds10

About N-[3-[[2-(dimethylamino)acetyl]amino]-4-prop-1-en-2-ylphenyl]-2-[(2-methoxypyrimidin-4-yl)methylamino]pyridine-3-carboxamide

N-[3-[[2-(dimethylamino)acetyl]amino]-4-prop-1-en-2-ylphenyl]-2-[(2-methoxypyrimidin-4-yl)methylamino]pyridine-3-carboxamide (PubChem CID 89089500) has the molecular formula C25H29N7O3 and a molecular weight of 475.55 g/mol. Its IUPAC name is N-[3-[[2-(dimethylamino)acetyl]amino]-4-prop-1-en-2-ylphenyl]-2-[(2-methoxypyrimidin-4-yl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(dimethylamino)acetyl]amino]-4-prop-1-en-2-ylphenyl]-2-[(2-methoxypyrimidin-4-yl)methylamino]pyridine-3-carboxamide
PubChem CID89089500
Molecular FormulaC25H29N7O3
Molecular Weight475.55 g/mol
Exact Mass475.23
IUPAC NameN-[3-[[2-(dimethylamino)acetyl]amino]-4-prop-1-en-2-ylphenyl]-2-[(2-methoxypyrimidin-4-yl)methylamino]pyridine-3-carboxamide
SMILESC=C(C)c1ccc(NC(=O)c2cccnc2NCc2ccnc(OC)n2)cc1NC(=O)CN(C)C
InChIInChI=1S/C25H29N7O3/c1-16(2)19-9-8-17(13-21(19)31-22(33)15-32(3)4)29-24(34)20-7-6-11-26-23(20)28-14-18-10-12-27-25(30-18)35-5/h6-13H,1,14-15H2,2-5H3,(H,26,28)(H,29,34)(H,31,33)
InChIKeyFUKNSFIOTKATSZ-UHFFFAOYSA-N
XLogP3.28
TPSA121.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-tert-butyl-3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-fluoropyridine-3-carboxamide
CID 69260763
2-[(2-methoxypyrimidin-4-yl)methylamino]-N-[3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 22498919
N-[4-tert-butyl-3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]-2-[(2-methoxy-4-pyridinyl)methylamino]pyridine-3-carboxamide
CID 22498918
N-(3-methoxyphenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62166611
N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-7,8-dimethylquinoline-5-carboxamide
CID 167789607
N-[4-(fluoromethyl)phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide
CID 70907587
N-[3-methoxy-5-(trifluoromethyl)phenyl]-2-[[2-(methylamino)pyrimidin-4-yl]methylamino]pyridine-3-carboxamide;1-methylpyrrolidine
CID 142853179
methyl 2-[[2-(pyridin-4-ylmethylamino)pyridine-3-carbonyl]amino]benzoate;hydrochloride
CID 141081595
N-(4-methoxyphenyl)-2-[7-[[3-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]heptyl]pyridine-3-carboxamide
CID 158018485
N-(3,4-difluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 62166522
N-(3,4-dichlorophenyl)-2-(4-methoxyanilino)pyridine-3-carboxamide
CID 23632726
N-(2-chloro-3-pyridinyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 3320057

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(dimethylamino)acetyl]amino]-4-prop-1-en-2-ylphenyl]-2-[(2-methoxypyrimidin-4-yl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[2-(dimethylamino)acetyl]amino]-4-prop-1-en-2-ylphenyl]-2-[(2-methoxypyrimidin-4-yl)methylamino]pyridine-3-carboxamide (CID 89089500) is N-[3-[[2-(dimethylamino)acetyl]amino]-4-prop-1-en-2-ylphenyl]-2-[(2-methoxypyrimidin-4-yl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[2-(dimethylamino)acetyl]amino]-4-prop-1-en-2-ylphenyl]-2-[(2-methoxypyrimidin-4-yl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[2-(dimethylamino)acetyl]amino]-4-prop-1-en-2-ylphenyl]-2-[(2-methoxypyrimidin-4-yl)methylamino]pyridine-3-carboxamide is C=C(C)c1ccc(NC(=O)c2cccnc2NCc2ccnc(OC)n2)cc1NC(=O)CN(C)C.
What is the InChIKey of N-[3-[[2-(dimethylamino)acetyl]amino]-4-prop-1-en-2-ylphenyl]-2-[(2-methoxypyrimidin-4-yl)methylamino]pyridine-3-carboxamide?
The InChIKey is FUKNSFIOTKATSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O3/c1-16(2)19-9-8-17(13-21(19)31-22(33)15-32(3)4)29-24(34)20-7-6-11-26-23(20)28-14-18-10-12-27-25(30-18)35-5/h6-13H,1,14-15H2,2-5H3,(H,26,28)(H,29,34)(H,31,33).
What are the key properties of N-[3-[[2-(dimethylamino)acetyl]amino]-4-prop-1-en-2-ylphenyl]-2-[(2-methoxypyrimidin-4-yl)methylamino]pyridine-3-carboxamide?
N-[3-[[2-(dimethylamino)acetyl]amino]-4-prop-1-en-2-ylphenyl]-2-[(2-methoxypyrimidin-4-yl)methylamino]pyridine-3-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 3.28, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(dimethylamino)acetyl]amino]-4-prop-1-en-2-ylphenyl]-2-[(2-methoxypyrimidin-4-yl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 89089500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).