(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide

C28H31N5O — CID 167706593

IUPAC(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide
SMILESCc1ccc(C(C)CN[C@@H](C(=O)Nc2ccc(-c3cn(C)nc3C)cn2)c2ccccc2)cc1
InChIInChI=1S/C28H31N5O/c1-19-10-12-22(13-11-19)20(2)16-30-27(23-8-6-5-7-9-23)28(34)31-26-15-14-24(17-29-26)25-18-33(4)32-21(25)3/h5-15,17-18,20,27,30H,16H2,1-4H3,(H,29,31,34)/t20?,27-/m1/s1
InChIKeyQZAHPUFAFQUHDV-MQBBKVSDSA-N
MW453.59 g/mol
LogP5.17
Rot. Bonds8

About (2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide

(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide (PubChem CID 167706593) has the molecular formula C28H31N5O and a molecular weight of 453.59 g/mol. Its IUPAC name is (2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide
PubChem CID167706593
Molecular FormulaC28H31N5O
Molecular Weight453.59 g/mol
Exact Mass453.25
IUPAC Name(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide
SMILESCc1ccc(C(C)CN[C@@H](C(=O)Nc2ccc(-c3cn(C)nc3C)cn2)c2ccccc2)cc1
InChIInChI=1S/C28H31N5O/c1-19-10-12-22(13-11-19)20(2)16-30-27(23-8-6-5-7-9-23)28(34)31-26-15-14-24(17-29-26)25-18-33(4)32-21(25)3/h5-15,17-18,20,27,30H,16H2,1-4H3,(H,29,31,34)/t20?,27-/m1/s1
InChIKeyQZAHPUFAFQUHDV-MQBBKVSDSA-N
XLogP5.17
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide?
The IUPAC name of (2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide (CID 167706593) is (2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide?
The canonical SMILES for (2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide is Cc1ccc(C(C)CN[C@@H](C(=O)Nc2ccc(-c3cn(C)nc3C)cn2)c2ccccc2)cc1.
What is the InChIKey of (2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide?
The InChIKey is QZAHPUFAFQUHDV-MQBBKVSDSA-N. The full InChI is InChI=1S/C28H31N5O/c1-19-10-12-22(13-11-19)20(2)16-30-27(23-8-6-5-7-9-23)28(34)31-26-15-14-24(17-29-26)25-18-33(4)32-21(25)3/h5-15,17-18,20,27,30H,16H2,1-4H3,(H,29,31,34)/t20?,27-/m1/s1.
What are the key properties of (2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide?
(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide has a molecular weight of 453.59 g/mol, XLogP of 5.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide is sourced from PubChem (CID 167706593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).