4-(2-carbamoylanilino)-N-methyl-6-(pyrimidin-2-ylamino)pyridine-3-carboxamide

C18H17N7O2 — CID 118473488

IUPAC4-(2-carbamoylanilino)-N-methyl-6-(pyrimidin-2-ylamino)pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ncccn2)cc1Nc1ccccc1C(N)=O
InChIInChI=1S/C18H17N7O2/c1-20-17(27)12-10-23-15(25-18-21-7-4-8-22-18)9-14(12)24-13-6-3-2-5-11(13)16(19)26/h2-10H,1H3,(H2,19,26)(H,20,27)(H2,21,22,23,24,25)
InChIKeyBJJPFHLLTKZPOQ-UHFFFAOYSA-N
MW363.38 g/mol
LogP1.82
Rot. Bonds6

About 4-(2-carbamoylanilino)-N-methyl-6-(pyrimidin-2-ylamino)pyridine-3-carboxamide

4-(2-carbamoylanilino)-N-methyl-6-(pyrimidin-2-ylamino)pyridine-3-carboxamide (PubChem CID 118473488) has the molecular formula C18H17N7O2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 4-(2-carbamoylanilino)-N-methyl-6-(pyrimidin-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2-carbamoylanilino)-N-methyl-6-(pyrimidin-2-ylamino)pyridine-3-carboxamide
PubChem CID118473488
Molecular FormulaC18H17N7O2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name4-(2-carbamoylanilino)-N-methyl-6-(pyrimidin-2-ylamino)pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ncccn2)cc1Nc1ccccc1C(N)=O
InChIInChI=1S/C18H17N7O2/c1-20-17(27)12-10-23-15(25-18-21-7-4-8-22-18)9-14(12)24-13-6-3-2-5-11(13)16(19)26/h2-10H,1H3,(H2,19,26)(H,20,27)(H2,21,22,23,24,25)
InChIKeyBJJPFHLLTKZPOQ-UHFFFAOYSA-N
XLogP1.82
TPSA134.92 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-carbamoylanilino)-N-methyl-6-(pyrimidin-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 4-(2-carbamoylanilino)-N-methyl-6-(pyrimidin-2-ylamino)pyridine-3-carboxamide (CID 118473488) is 4-(2-carbamoylanilino)-N-methyl-6-(pyrimidin-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 4-(2-carbamoylanilino)-N-methyl-6-(pyrimidin-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 4-(2-carbamoylanilino)-N-methyl-6-(pyrimidin-2-ylamino)pyridine-3-carboxamide is CNC(=O)c1cnc(Nc2ncccn2)cc1Nc1ccccc1C(N)=O.
What is the InChIKey of 4-(2-carbamoylanilino)-N-methyl-6-(pyrimidin-2-ylamino)pyridine-3-carboxamide?
The InChIKey is BJJPFHLLTKZPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2/c1-20-17(27)12-10-23-15(25-18-21-7-4-8-22-18)9-14(12)24-13-6-3-2-5-11(13)16(19)26/h2-10H,1H3,(H2,19,26)(H,20,27)(H2,21,22,23,24,25).
What are the key properties of 4-(2-carbamoylanilino)-N-methyl-6-(pyrimidin-2-ylamino)pyridine-3-carboxamide?
4-(2-carbamoylanilino)-N-methyl-6-(pyrimidin-2-ylamino)pyridine-3-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 1.82, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbamoylanilino)-N-methyl-6-(pyrimidin-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118473488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).