2-[[5-methyl-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide

C26H33N7O — CID 71044083

IUPAC2-[[5-methyl-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide
SMILESCc1cnc(Nc2ccc(C3CCN(C)CC3)nc2)nc1Nc1ccccc1C(=O)NC(C)C
InChIInChI=1S/C26H33N7O/c1-17(2)29-25(34)21-7-5-6-8-23(21)31-24-18(3)15-28-26(32-24)30-20-9-10-22(27-16-20)19-11-13-33(4)14-12-19/h5-10,15-17,19H,11-14H2,1-4H3,(H,29,34)(H2,28,30,31,32)
InChIKeyWHJUYYHHACRWAA-UHFFFAOYSA-N
MW459.60 g/mol
LogP4.61
Rot. Bonds7

About 2-[[5-methyl-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide

2-[[5-methyl-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide (PubChem CID 71044083) has the molecular formula C26H33N7O and a molecular weight of 459.60 g/mol. Its IUPAC name is 2-[[5-methyl-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[[5-methyl-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide
PubChem CID71044083
Molecular FormulaC26H33N7O
Molecular Weight459.60 g/mol
Exact Mass459.27
IUPAC Name2-[[5-methyl-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide
SMILESCc1cnc(Nc2ccc(C3CCN(C)CC3)nc2)nc1Nc1ccccc1C(=O)NC(C)C
InChIInChI=1S/C26H33N7O/c1-17(2)29-25(34)21-7-5-6-8-23(21)31-24-18(3)15-28-26(32-24)30-20-9-10-22(27-16-20)19-11-13-33(4)14-12-19/h5-10,15-17,19H,11-14H2,1-4H3,(H,29,34)(H2,28,30,31,32)
InChIKeyWHJUYYHHACRWAA-UHFFFAOYSA-N
XLogP4.61
TPSA95.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.60
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[5-methyl-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide with MolForge

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Related Compounds

N-methyl-2-[[5-methyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]benzamide
CID 25122370
[2-[[5-chloro-2-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]phenyl]-piperidin-1-ylmethanone
CID 59764375
[2-[[5-chloro-2-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 59764379
tert-butyl N-[2-[7-[[5-methyl-4-[2-(methylcarbamoyl)anilino]pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]carbamate
CID 156831601
N-(2-bromophenyl)-4-methoxy-2-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidine-5-carboxamide
CID 171834826
2-[2-[2-[5-methyl-2-[[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-pyridinyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetic acid
CID 86712644
2-[[5-chloro-2-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)amino]pyrimidin-4-yl]amino]-N-methylbenzamide
CID 166872557
2-[[5-chloro-2-[(7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)amino]pyrimidin-4-yl]amino]-N-methylbenzamide
CID 166872579
2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-propan-2-ylbenzamide
CID 71813145
4-(2-methoxyanilino)-N-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
CID 44536053
6-cyclopropyl-N-propan-2-ylpyridine-3-carboxamide
CID 121261417
2-[[5-chloro-2-[[3-(2-methoxyethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]amino]pyrimidin-4-yl]amino]-N-cyclopropylbenzamide
CID 66830697

Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[[5-methyl-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide (CID 71044083) is 2-[[5-methyl-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[[5-methyl-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[[5-methyl-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide is Cc1cnc(Nc2ccc(C3CCN(C)CC3)nc2)nc1Nc1ccccc1C(=O)NC(C)C.
What is the InChIKey of 2-[[5-methyl-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide?
The InChIKey is WHJUYYHHACRWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O/c1-17(2)29-25(34)21-7-5-6-8-23(21)31-24-18(3)15-28-26(32-24)30-20-9-10-22(27-16-20)19-11-13-33(4)14-12-19/h5-10,15-17,19H,11-14H2,1-4H3,(H,29,34)(H2,28,30,31,32).
What are the key properties of 2-[[5-methyl-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide?
2-[[5-methyl-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide has a molecular weight of 459.60 g/mol, XLogP of 4.61, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 71044083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).