4-(2-amino-6-methyl-3-pyridinyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide

C23H26N4O — CID 126440979

IUPAC4-(2-amino-6-methyl-3-pyridinyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
SMILESCc1ccnc(C[C@@H](C)N(C)C(=O)c2ccc(-c3ccc(C)nc3N)cc2)c1
InChIInChI=1S/C23H26N4O/c1-15-11-12-25-20(13-15)14-17(3)27(4)23(28)19-8-6-18(7-9-19)21-10-5-16(2)26-22(21)24/h5-13,17H,14H2,1-4H3,(H2,24,26)/t17-/m1/s1
InChIKeyDAKRSJOSRZCIRX-QGZVFWFLSA-N
MW374.49 g/mol
LogP4.05
Rot. Bonds5

About 4-(2-amino-6-methyl-3-pyridinyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide

4-(2-amino-6-methyl-3-pyridinyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide (PubChem CID 126440979) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-(2-amino-6-methyl-3-pyridinyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-(2-amino-6-methyl-3-pyridinyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
PubChem CID126440979
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name4-(2-amino-6-methyl-3-pyridinyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
SMILESCc1ccnc(C[C@@H](C)N(C)C(=O)c2ccc(-c3ccc(C)nc3N)cc2)c1
InChIInChI=1S/C23H26N4O/c1-15-11-12-25-20(13-15)14-17(3)27(4)23(28)19-8-6-18(7-9-19)21-10-5-16(2)26-22(21)24/h5-13,17H,14H2,1-4H3,(H2,24,26)/t17-/m1/s1
InChIKeyDAKRSJOSRZCIRX-QGZVFWFLSA-N
XLogP4.05
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-methyl-3-pyridinyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide?
The IUPAC name of 4-(2-amino-6-methyl-3-pyridinyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide (CID 126440979) is 4-(2-amino-6-methyl-3-pyridinyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide.
What is the SMILES notation for 4-(2-amino-6-methyl-3-pyridinyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide?
The canonical SMILES for 4-(2-amino-6-methyl-3-pyridinyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide is Cc1ccnc(C[C@@H](C)N(C)C(=O)c2ccc(-c3ccc(C)nc3N)cc2)c1.
What is the InChIKey of 4-(2-amino-6-methyl-3-pyridinyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide?
The InChIKey is DAKRSJOSRZCIRX-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H26N4O/c1-15-11-12-25-20(13-15)14-17(3)27(4)23(28)19-8-6-18(7-9-19)21-10-5-16(2)26-22(21)24/h5-13,17H,14H2,1-4H3,(H2,24,26)/t17-/m1/s1.
What are the key properties of 4-(2-amino-6-methyl-3-pyridinyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide?
4-(2-amino-6-methyl-3-pyridinyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide has a molecular weight of 374.49 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-6-methyl-3-pyridinyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide is sourced from PubChem (CID 126440979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).