6-cyclopropyl-N-[4-(3,3-dimethylpyrrolidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C25H27N7O2 — CID 54760760

IUPAC6-cyclopropyl-N-[4-(3,3-dimethylpyrrolidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCC1(C)CCN(C(=O)c2ccncc2NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)C1
InChIInChI=1S/C25H27N7O2/c1-25(2)8-10-32(14-25)24(34)18-7-9-26-13-21(18)31-23(33)22-20(29-17-11-27-15-28-12-17)6-5-19(30-22)16-3-4-16/h5-7,9,11-13,15-16,29H,3-4,8,10,14H2,1-2H3,(H,31,33)
InChIKeyCJNMAKGNCJTHCJ-UHFFFAOYSA-N
MW457.54 g/mol
LogP4.01
Rot. Bonds6

About 6-cyclopropyl-N-[4-(3,3-dimethylpyrrolidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-cyclopropyl-N-[4-(3,3-dimethylpyrrolidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 54760760) has the molecular formula C25H27N7O2 and a molecular weight of 457.54 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-(3,3-dimethylpyrrolidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[4-(3,3-dimethylpyrrolidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID54760760
Molecular FormulaC25H27N7O2
Molecular Weight457.54 g/mol
Exact Mass457.22
IUPAC Name6-cyclopropyl-N-[4-(3,3-dimethylpyrrolidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCC1(C)CCN(C(=O)c2ccncc2NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)C1
InChIInChI=1S/C25H27N7O2/c1-25(2)8-10-32(14-25)24(34)18-7-9-26-13-21(18)31-23(33)22-20(29-17-11-27-15-28-12-17)6-5-19(30-22)16-3-4-16/h5-7,9,11-13,15-16,29H,3-4,8,10,14H2,1-2H3,(H,31,33)
InChIKeyCJNMAKGNCJTHCJ-UHFFFAOYSA-N
XLogP4.01
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-cyclopropyl-N-[4-(3,3-dimethylpyrrolidine-1-carbonyl)-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-(3,3-dimethylpyrrolidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[4-(3,3-dimethylpyrrolidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 54760760) is 6-cyclopropyl-N-[4-(3,3-dimethylpyrrolidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[4-(3,3-dimethylpyrrolidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[4-(3,3-dimethylpyrrolidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is CC1(C)CCN(C(=O)c2ccncc2NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)C1.
What is the InChIKey of 6-cyclopropyl-N-[4-(3,3-dimethylpyrrolidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is CJNMAKGNCJTHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2/c1-25(2)8-10-32(14-25)24(34)18-7-9-26-13-21(18)31-23(33)22-20(29-17-11-27-15-28-12-17)6-5-19(30-22)16-3-4-16/h5-7,9,11-13,15-16,29H,3-4,8,10,14H2,1-2H3,(H,31,33).
What are the key properties of 6-cyclopropyl-N-[4-(3,3-dimethylpyrrolidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-[4-(3,3-dimethylpyrrolidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 457.54 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[4-(3,3-dimethylpyrrolidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 54760760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).