6-cyclopropyl-N-[2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C21H20N6O2 — CID 54760375

IUPAC6-cyclopropyl-N-[2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCNC(=O)c1ccccc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C21H20N6O2/c1-22-20(28)15-4-2-3-5-17(15)27-21(29)19-18(25-14-10-23-12-24-11-14)9-8-16(26-19)13-6-7-13/h2-5,8-13,25H,6-7H2,1H3,(H,22,28)(H,27,29)
InChIKeyACUNJECQQDKCHI-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.10
Rot. Bonds6

About 6-cyclopropyl-N-[2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-cyclopropyl-N-[2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 54760375) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID54760375
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name6-cyclopropyl-N-[2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCNC(=O)c1ccccc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C21H20N6O2/c1-22-20(28)15-4-2-3-5-17(15)27-21(29)19-18(25-14-10-23-12-24-11-14)9-8-16(26-19)13-6-7-13/h2-5,8-13,25H,6-7H2,1H3,(H,22,28)(H,27,29)
InChIKeyACUNJECQQDKCHI-UHFFFAOYSA-N
XLogP3.10
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 54760375) is 6-cyclopropyl-N-[2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is CNC(=O)c1ccccc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is ACUNJECQQDKCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-22-20(28)15-4-2-3-5-17(15)27-21(29)19-18(25-14-10-23-12-24-11-14)9-8-16(26-19)13-6-7-13/h2-5,8-13,25H,6-7H2,1H3,(H,22,28)(H,27,29).
What are the key properties of 6-cyclopropyl-N-[2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-[2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 54760375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).