6-[(3R)-4-[2-(dimethylamino)-6-phenylpyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-3-carboxamide

C24H29N7O — CID 11524819

IUPAC6-[(3R)-4-[2-(dimethylamino)-6-phenylpyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-3-carboxamide
SMILESCc1cc(C(N)=O)cnc1N1CCN(c2cc(-c3ccccc3)nc(N(C)C)n2)[C@H](C)C1
InChIInChI=1S/C24H29N7O/c1-16-12-19(22(25)32)14-26-23(16)30-10-11-31(17(2)15-30)21-13-20(18-8-6-5-7-9-18)27-24(28-21)29(3)4/h5-9,12-14,17H,10-11,15H2,1-4H3,(H2,25,32)/t17-/m1/s1
InChIKeyQMNDGRMDQVFBLH-QGZVFWFLSA-N
MW431.54 g/mol
LogP2.73
Rot. Bonds5

About 6-[(3R)-4-[2-(dimethylamino)-6-phenylpyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-3-carboxamide

6-[(3R)-4-[2-(dimethylamino)-6-phenylpyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-3-carboxamide (PubChem CID 11524819) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is 6-[(3R)-4-[2-(dimethylamino)-6-phenylpyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3R)-4-[2-(dimethylamino)-6-phenylpyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-3-carboxamide
PubChem CID11524819
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC Name6-[(3R)-4-[2-(dimethylamino)-6-phenylpyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-3-carboxamide
SMILESCc1cc(C(N)=O)cnc1N1CCN(c2cc(-c3ccccc3)nc(N(C)C)n2)[C@H](C)C1
InChIInChI=1S/C24H29N7O/c1-16-12-19(22(25)32)14-26-23(16)30-10-11-31(17(2)15-30)21-13-20(18-8-6-5-7-9-18)27-24(28-21)29(3)4/h5-9,12-14,17H,10-11,15H2,1-4H3,(H2,25,32)/t17-/m1/s1
InChIKeyQMNDGRMDQVFBLH-QGZVFWFLSA-N
XLogP2.73
TPSA91.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-4-[2-(dimethylamino)-6-phenylpyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-3-carboxamide?
The IUPAC name of 6-[(3R)-4-[2-(dimethylamino)-6-phenylpyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-3-carboxamide (CID 11524819) is 6-[(3R)-4-[2-(dimethylamino)-6-phenylpyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(3R)-4-[2-(dimethylamino)-6-phenylpyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[(3R)-4-[2-(dimethylamino)-6-phenylpyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-3-carboxamide is Cc1cc(C(N)=O)cnc1N1CCN(c2cc(-c3ccccc3)nc(N(C)C)n2)[C@H](C)C1.
What is the InChIKey of 6-[(3R)-4-[2-(dimethylamino)-6-phenylpyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-3-carboxamide?
The InChIKey is QMNDGRMDQVFBLH-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H29N7O/c1-16-12-19(22(25)32)14-26-23(16)30-10-11-31(17(2)15-30)21-13-20(18-8-6-5-7-9-18)27-24(28-21)29(3)4/h5-9,12-14,17H,10-11,15H2,1-4H3,(H2,25,32)/t17-/m1/s1.
What are the key properties of 6-[(3R)-4-[2-(dimethylamino)-6-phenylpyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-3-carboxamide?
6-[(3R)-4-[2-(dimethylamino)-6-phenylpyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-3-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-4-[2-(dimethylamino)-6-phenylpyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 11524819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).