5-cyano-3,4-dimethyl-N-[4-(oxan-2-ylamino)-3-(pyrimidine-4-carboximidoyl)phenyl]pyridine-2-carboxamide

C25H25N7O2 — CID 155482263

IUPAC5-cyano-3,4-dimethyl-N-[4-(oxan-2-ylamino)-3-(pyrimidine-4-carboximidoyl)phenyl]pyridine-2-carboxamide
SMILES[H]/N=C(\c1ccncn1)c1cc(NC(=O)c2ncc(C#N)c(C)c2C)ccc1NC1CCCCO1
InChIInChI=1S/C25H25N7O2/c1-15-16(2)24(29-13-17(15)12-26)25(33)31-18-6-7-20(32-22-5-3-4-10-34-22)19(11-18)23(27)21-8-9-28-14-30-21/h6-9,11,13-14,22,27,32H,3-5,10H2,1-2H3,(H,31,33)/b27-23-
InChIKeySWQMUHQNSQWOTF-VYIQYICTSA-N
MW455.52 g/mol
LogP3.97
Rot. Bonds6

About 5-cyano-3,4-dimethyl-N-[4-(oxan-2-ylamino)-3-(pyrimidine-4-carboximidoyl)phenyl]pyridine-2-carboxamide

5-cyano-3,4-dimethyl-N-[4-(oxan-2-ylamino)-3-(pyrimidine-4-carboximidoyl)phenyl]pyridine-2-carboxamide (PubChem CID 155482263) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is 5-cyano-3,4-dimethyl-N-[4-(oxan-2-ylamino)-3-(pyrimidine-4-carboximidoyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-3,4-dimethyl-N-[4-(oxan-2-ylamino)-3-(pyrimidine-4-carboximidoyl)phenyl]pyridine-2-carboxamide
PubChem CID155482263
Molecular FormulaC25H25N7O2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC Name5-cyano-3,4-dimethyl-N-[4-(oxan-2-ylamino)-3-(pyrimidine-4-carboximidoyl)phenyl]pyridine-2-carboxamide
SMILES[H]/N=C(\c1ccncn1)c1cc(NC(=O)c2ncc(C#N)c(C)c2C)ccc1NC1CCCCO1
InChIInChI=1S/C25H25N7O2/c1-15-16(2)24(29-13-17(15)12-26)25(33)31-18-6-7-20(32-22-5-3-4-10-34-22)19(11-18)23(27)21-8-9-28-14-30-21/h6-9,11,13-14,22,27,32H,3-5,10H2,1-2H3,(H,31,33)/b27-23-
InChIKeySWQMUHQNSQWOTF-VYIQYICTSA-N
XLogP3.97
TPSA136.67 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-cyano-3,4-dimethyl-N-[4-(oxan-2-ylamino)-3-(pyrimidine-4-carboximidoyl)phenyl]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-5-cyano-N-[3-(2,2-difluoroethanimidoyl)-4-(oxan-2-ylamino)phenyl]-3,4-dimethylpyridine-2-carboxamide
CID 155481957
5-cyano-N-[3-(cyclopropanecarboximidoyl)-4-(iodophosphanylamino)phenyl]-3,4-dimethylpyridine-2-carboxamide
CID 155482749
N-[4-amino-3-(2-methyl-1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide
CID 155482169
N-[4-amino-3-[(E)-3-cyclopropylprop-2-enimidoyl]phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide
CID 155481752
N-[4-amino-3-(1-methyl-2-oxopyridine-3-carboximidoyl)phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide
CID 155482657
N-[4-amino-3-(pyrimidine-4-carboximidoyl)phenyl]-5-cyano-3,4-dimethylpyridin-1-ium-2-carboxamide
CID 176517176
N-[4-amino-3-[(E)-4,4,4-trifluorobut-2-enimidoyl]phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide
CID 155574887
N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen
CID 155574812
N-[4-amino-3-(oxetane-3-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 155482246
N-[4-amino-3-(3-cyclopropylbenzenecarboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 155482000
N-[4-amino-3-(6-methylpyridine-2-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 155481963
N-[4-amino-3-(6-methylpyridazine-4-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 155482723

Frequently Asked Questions

What is the IUPAC name of 5-cyano-3,4-dimethyl-N-[4-(oxan-2-ylamino)-3-(pyrimidine-4-carboximidoyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-cyano-3,4-dimethyl-N-[4-(oxan-2-ylamino)-3-(pyrimidine-4-carboximidoyl)phenyl]pyridine-2-carboxamide (CID 155482263) is 5-cyano-3,4-dimethyl-N-[4-(oxan-2-ylamino)-3-(pyrimidine-4-carboximidoyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-3,4-dimethyl-N-[4-(oxan-2-ylamino)-3-(pyrimidine-4-carboximidoyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-3,4-dimethyl-N-[4-(oxan-2-ylamino)-3-(pyrimidine-4-carboximidoyl)phenyl]pyridine-2-carboxamide is [H]/N=C(\c1ccncn1)c1cc(NC(=O)c2ncc(C#N)c(C)c2C)ccc1NC1CCCCO1.
What is the InChIKey of 5-cyano-3,4-dimethyl-N-[4-(oxan-2-ylamino)-3-(pyrimidine-4-carboximidoyl)phenyl]pyridine-2-carboxamide?
The InChIKey is SWQMUHQNSQWOTF-VYIQYICTSA-N. The full InChI is InChI=1S/C25H25N7O2/c1-15-16(2)24(29-13-17(15)12-26)25(33)31-18-6-7-20(32-22-5-3-4-10-34-22)19(11-18)23(27)21-8-9-28-14-30-21/h6-9,11,13-14,22,27,32H,3-5,10H2,1-2H3,(H,31,33)/b27-23-.
What are the key properties of 5-cyano-3,4-dimethyl-N-[4-(oxan-2-ylamino)-3-(pyrimidine-4-carboximidoyl)phenyl]pyridine-2-carboxamide?
5-cyano-3,4-dimethyl-N-[4-(oxan-2-ylamino)-3-(pyrimidine-4-carboximidoyl)phenyl]pyridine-2-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 3.97, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-3,4-dimethyl-N-[4-(oxan-2-ylamino)-3-(pyrimidine-4-carboximidoyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 155482263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).