4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-N-(1-methylpiperidin-4-yl)benzamide

C23H27N7O — CID 70671539

IUPAC4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCc1nc(N)nc(-c2ccc(C(=O)NC3CCN(C)CC3)cc2)c1-c1ccc(N)nc1
InChIInChI=1S/C23H27N7O/c1-14-20(17-7-8-19(24)26-13-17)21(29-23(25)27-14)15-3-5-16(6-4-15)22(31)28-18-9-11-30(2)12-10-18/h3-8,13,18H,9-12H2,1-2H3,(H2,24,26)(H,28,31)(H2,25,27,29)
InChIKeyOGWGQWUMIOXWPZ-UHFFFAOYSA-N
MW417.52 g/mol
LogP2.50
Rot. Bonds4

About 4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-N-(1-methylpiperidin-4-yl)benzamide

4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 70671539) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is 4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID70671539
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCc1nc(N)nc(-c2ccc(C(=O)NC3CCN(C)CC3)cc2)c1-c1ccc(N)nc1
InChIInChI=1S/C23H27N7O/c1-14-20(17-7-8-19(24)26-13-17)21(29-23(25)27-14)15-3-5-16(6-4-15)22(31)28-18-9-11-30(2)12-10-18/h3-8,13,18H,9-12H2,1-2H3,(H2,24,26)(H,28,31)(H2,25,27,29)
InChIKeyOGWGQWUMIOXWPZ-UHFFFAOYSA-N
XLogP2.50
TPSA123.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]piperidin-3-yl]acetamide
CID 70671781
4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373277
4-carbamothioyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373646
6-amino-3-chloro-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 62155799
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide
CID 90164466
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
5-amino-2-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 54917300
[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]boronic acid
CID 140843225
4-acetamido-N-(1-methylpiperidin-4-yl)benzamide
CID 47114509
4-amino-3-hydroxy-N-(1-methylpiperidin-4-yl)benzamide
CID 89070568
3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide
CID 61094399
N-(1-methylpiperidin-4-yl)pyrimidine-5-carboxamide
CID 110466807

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-N-(1-methylpiperidin-4-yl)benzamide (CID 70671539) is 4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-N-(1-methylpiperidin-4-yl)benzamide is Cc1nc(N)nc(-c2ccc(C(=O)NC3CCN(C)CC3)cc2)c1-c1ccc(N)nc1.
What is the InChIKey of 4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is OGWGQWUMIOXWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-14-20(17-7-8-19(24)26-13-17)21(29-23(25)27-14)15-3-5-16(6-4-15)22(31)28-18-9-11-30(2)12-10-18/h3-8,13,18H,9-12H2,1-2H3,(H2,24,26)(H,28,31)(H2,25,27,29).
What are the key properties of 4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-N-(1-methylpiperidin-4-yl)benzamide?
4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 417.52 g/mol, XLogP of 2.50, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 70671539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).