6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C23H25N7O3 — CID 70098086

IUPAC6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C23H25N7O3/c1-23(2,33)12-27-21(31)16-7-8-24-11-19(16)30-22(32)20-18(28-15-9-25-13-26-10-15)6-5-17(29-20)14-3-4-14/h5-11,13-14,28,33H,3-4,12H2,1-2H3,(H,27,31)(H,30,32)
InChIKeyOPRLZCJBXDOIMR-UHFFFAOYSA-N
MW447.50 g/mol
LogP2.64
Rot. Bonds8

About 6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 70098086) has the molecular formula C23H25N7O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID70098086
Molecular FormulaC23H25N7O3
Molecular Weight447.50 g/mol
Exact Mass447.20
IUPAC Name6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C23H25N7O3/c1-23(2,33)12-27-21(31)16-7-8-24-11-19(16)30-22(32)20-18(28-15-9-25-13-26-10-15)6-5-17(29-20)14-3-4-14/h5-11,13-14,28,33H,3-4,12H2,1-2H3,(H,27,31)(H,30,32)
InChIKeyOPRLZCJBXDOIMR-UHFFFAOYSA-N
XLogP2.64
TPSA142.02 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-cyclopropyl-N-[1-(2-methoxyethyl)-5-(methylcarbamoyl)-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 54761643
2-Ethyl-9-methyl-13-[2-(pyrimidin-5-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470732
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(7-pyrimidin-5-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 5280235
4-Pyrimidinecarboxamide,2-amino-6-(2-methylphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 11302050
2-(2-aminopyrimidin-4-yl)-1-(1-methylpiperidin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23585248
4-Pyrimidinecarboxamide,2-amino-6-phenyl-n-(2-pyridinylmethyl)-
CID 44520942
4-Pyrimidinecarboxamide,2-amino-6-(2-methylphenyl)-n-(2-pyridinylmethyl)-
CID 44520947
4-Pyrimidinecarboxamide,2-amino-6-(3-methylphenyl)-n-(2-pyridinylmethyl)-
CID 44520948
4-Pyrimidinecarboxamide,2-amino-6-(4-methylphenyl)-n-(2-pyridinylmethyl)-
CID 44520949
4-Pyrimidinecarboxamide,2-amino-6-(3-methylphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520961
4-Pyrimidinecarboxamide,2-amino-6-(4-methylphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520962
4-Pyrimidinecarboxamide,2-amino-6-(3-cyanophenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520969

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 70098086) is 6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is CC(C)(O)CNC(=O)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is OPRLZCJBXDOIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3/c1-23(2,33)12-27-21(31)16-7-8-24-11-19(16)30-22(32)20-18(28-15-9-25-13-26-10-15)6-5-17(29-20)14-3-4-14/h5-11,13-14,28,33H,3-4,12H2,1-2H3,(H,27,31)(H,30,32).
What are the key properties of 6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 2.64, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 70098086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).