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

C22H23N7O3 — CID 58548265

IUPAC6-cyclopropyl-N-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCN(CCO)C(=O)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C22H23N7O3/c1-29(8-9-30)22(32)16-6-7-23-12-19(16)28-21(31)20-18(26-15-10-24-13-25-11-15)5-4-17(27-20)14-2-3-14/h4-7,10-14,26,30H,2-3,8-9H2,1H3,(H,28,31)
InChIKeyWUEUJQQZKSSYCR-UHFFFAOYSA-N
MW433.47 g/mol
LogP2.20
Rot. Bonds8

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

6-cyclopropyl-N-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 58548265) has the molecular formula C22H23N7O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID58548265
Molecular FormulaC22H23N7O3
Molecular Weight433.47 g/mol
Exact Mass433.19
IUPAC Name6-cyclopropyl-N-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCN(CCO)C(=O)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C22H23N7O3/c1-29(8-9-30)22(32)16-6-7-23-12-19(16)28-21(31)20-18(26-15-10-24-13-25-11-15)5-4-17(27-20)14-2-3-14/h4-7,10-14,26,30H,2-3,8-9H2,1H3,(H,28,31)
InChIKeyWUEUJQQZKSSYCR-UHFFFAOYSA-N
XLogP2.20
TPSA133.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-cyclopropyl-N-[4-[2-hydroxyethyl(methyl)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

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 58548265) is 6-cyclopropyl-N-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is CN(CCO)C(=O)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is WUEUJQQZKSSYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O3/c1-29(8-9-30)22(32)16-6-7-23-12-19(16)28-21(31)20-18(26-15-10-24-13-25-11-15)5-4-17(27-20)14-2-3-14/h4-7,10-14,26,30H,2-3,8-9H2,1H3,(H,28,31).
What are the key properties of 6-cyclopropyl-N-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 2.20, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 58548265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).