(2S)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(6-methyl-3-pyridinyl)propyl]amino]-2-phenylacetamide

C26H28N6O — CID 139426074

IUPAC(2S)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(6-methyl-3-pyridinyl)propyl]amino]-2-phenylacetamide
SMILESCc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2)cn1
InChIInChI=1S/C26H28N6O/c1-18(21-10-9-19(2)27-14-21)13-29-25(20-7-5-4-6-8-20)26(33)31-24-12-11-22(15-28-24)23-16-30-32(3)17-23/h4-12,14-18,25,29H,13H2,1-3H3,(H,28,31,33)/t18-,25+/m1/s1
InChIKeyIRFYMUZAFSCZFS-CJAUYULYSA-N
MW440.55 g/mol
LogP4.26
Rot. Bonds8

About (2S)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(6-methyl-3-pyridinyl)propyl]amino]-2-phenylacetamide

(2S)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(6-methyl-3-pyridinyl)propyl]amino]-2-phenylacetamide (PubChem CID 139426074) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is (2S)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(6-methyl-3-pyridinyl)propyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(6-methyl-3-pyridinyl)propyl]amino]-2-phenylacetamide
PubChem CID139426074
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC Name(2S)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(6-methyl-3-pyridinyl)propyl]amino]-2-phenylacetamide
SMILESCc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2)cn1
InChIInChI=1S/C26H28N6O/c1-18(21-10-9-19(2)27-14-21)13-29-25(20-7-5-4-6-8-20)26(33)31-24-12-11-22(15-28-24)23-16-30-32(3)17-23/h4-12,14-18,25,29H,13H2,1-3H3,(H,28,31,33)/t18-,25+/m1/s1
InChIKeyIRFYMUZAFSCZFS-CJAUYULYSA-N
XLogP4.26
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(6-methyl-3-pyridinyl)propyl]amino]-2-phenylacetamide?
The IUPAC name of (2S)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(6-methyl-3-pyridinyl)propyl]amino]-2-phenylacetamide (CID 139426074) is (2S)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(6-methyl-3-pyridinyl)propyl]amino]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(6-methyl-3-pyridinyl)propyl]amino]-2-phenylacetamide?
The canonical SMILES for (2S)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(6-methyl-3-pyridinyl)propyl]amino]-2-phenylacetamide is Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2)cn1.
What is the InChIKey of (2S)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(6-methyl-3-pyridinyl)propyl]amino]-2-phenylacetamide?
The InChIKey is IRFYMUZAFSCZFS-CJAUYULYSA-N. The full InChI is InChI=1S/C26H28N6O/c1-18(21-10-9-19(2)27-14-21)13-29-25(20-7-5-4-6-8-20)26(33)31-24-12-11-22(15-28-24)23-16-30-32(3)17-23/h4-12,14-18,25,29H,13H2,1-3H3,(H,28,31,33)/t18-,25+/m1/s1.
What are the key properties of (2S)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(6-methyl-3-pyridinyl)propyl]amino]-2-phenylacetamide?
(2S)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(6-methyl-3-pyridinyl)propyl]amino]-2-phenylacetamide has a molecular weight of 440.55 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(6-methyl-3-pyridinyl)propyl]amino]-2-phenylacetamide is sourced from PubChem (CID 139426074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).