2-cyclopropyl-N-[4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]pyridine-4-carboxamide

C26H22N8O — CID 164905409

IUPAC2-cyclopropyl-N-[4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C3CC3)c2)cc1Nc1ncccc1-c1ncnc2nc[nH]c12
InChIInChI=1S/C26H22N8O/c1-15-4-7-18(33-26(35)17-8-10-27-21(11-17)16-5-6-16)12-20(15)34-24-19(3-2-9-28-24)22-23-25(31-13-29-22)32-14-30-23/h2-4,7-14,16H,5-6H2,1H3,(H,28,34)(H,33,35)(H,29,30,31,32)
InChIKeyDSOGWMFVNOTREE-UHFFFAOYSA-N
MW462.52 g/mol
LogP4.99
Rot. Bonds6

About 2-cyclopropyl-N-[4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]pyridine-4-carboxamide

2-cyclopropyl-N-[4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]pyridine-4-carboxamide (PubChem CID 164905409) has the molecular formula C26H22N8O and a molecular weight of 462.52 g/mol. Its IUPAC name is 2-cyclopropyl-N-[4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]pyridine-4-carboxamide
PubChem CID164905409
Molecular FormulaC26H22N8O
Molecular Weight462.52 g/mol
Exact Mass462.19
IUPAC Name2-cyclopropyl-N-[4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C3CC3)c2)cc1Nc1ncccc1-c1ncnc2nc[nH]c12
InChIInChI=1S/C26H22N8O/c1-15-4-7-18(33-26(35)17-8-10-27-21(11-17)16-5-6-16)12-20(15)34-24-19(3-2-9-28-24)22-23-25(31-13-29-22)32-14-30-23/h2-4,7-14,16H,5-6H2,1H3,(H,28,34)(H,33,35)(H,29,30,31,32)
InChIKeyDSOGWMFVNOTREE-UHFFFAOYSA-N
XLogP4.99
TPSA121.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-cyclopropyl-N-[4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]pyridine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-chloro-3-methyl-N-[4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzamide
CID 118720458
3-(dimethylamino)-N-[4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzamide
CID 73331320
4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide;molecular hydrogen
CID 164905838
N-[4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 164905495
4-chloro-3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzamide
CID 164905442
2-(azepan-1-yl)-N-[4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]acetamide
CID 164905649
5-(4-fluorophenyl)-N-[4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-1,3-thiazole-4-carboxamide
CID 169200027
4-chloro-3-cyano-N-[6-methyl-5-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]-3-pyridinyl]benzamide
CID 164905667
2-(3,3-difluoroazepan-1-yl)-N-[4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]acetamide
CID 164905540
4-chloro-N-(3-propan-2-ylphenyl)-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]benzamide
CID 73331186
3,5-difluoro-N-[2-fluoro-5-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzamide
CID 139548472
2,6-difluorocyclohexa-1,3-diene;N-[4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-1,2-oxazolidine-2-carboxamide
CID 170576105

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]pyridine-4-carboxamide (CID 164905409) is 2-cyclopropyl-N-[4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C3CC3)c2)cc1Nc1ncccc1-c1ncnc2nc[nH]c12.
What is the InChIKey of 2-cyclopropyl-N-[4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]pyridine-4-carboxamide?
The InChIKey is DSOGWMFVNOTREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N8O/c1-15-4-7-18(33-26(35)17-8-10-27-21(11-17)16-5-6-16)12-20(15)34-24-19(3-2-9-28-24)22-23-25(31-13-29-22)32-14-30-23/h2-4,7-14,16H,5-6H2,1H3,(H,28,34)(H,33,35)(H,29,30,31,32).
What are the key properties of 2-cyclopropyl-N-[4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]pyridine-4-carboxamide?
2-cyclopropyl-N-[4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]pyridine-4-carboxamide has a molecular weight of 462.52 g/mol, XLogP of 4.99, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 164905409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).