N-[5-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide

C27H24N8O — CID 130405117

IUPACN-[5-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cnc(-c2cn(C)nc2C)c(C#N)c1
InChIInChI=1S/C27H24N8O/c1-16-22(20-8-19(11-28)25(32-12-20)23-14-35(5)34-17(23)2)10-21(13-31-16)33-26(36)18-6-7-30-24(9-18)27(3,4)15-29/h6-10,12-14H,1-5H3,(H,33,36)
InChIKeyRTOUFAGTYWEUMT-UHFFFAOYSA-N
MW476.54 g/mol
LogP4.48
Rot. Bonds5

About N-[5-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide

N-[5-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide (PubChem CID 130405117) has the molecular formula C27H24N8O and a molecular weight of 476.54 g/mol. Its IUPAC name is N-[5-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
PubChem CID130405117
Molecular FormulaC27H24N8O
Molecular Weight476.54 g/mol
Exact Mass476.21
IUPAC NameN-[5-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cnc(-c2cn(C)nc2C)c(C#N)c1
InChIInChI=1S/C27H24N8O/c1-16-22(20-8-19(11-28)25(32-12-20)23-14-35(5)34-17(23)2)10-21(13-31-16)33-26(36)18-6-7-30-24(9-18)27(3,4)15-29/h6-10,12-14H,1-5H3,(H,33,36)
InChIKeyRTOUFAGTYWEUMT-UHFFFAOYSA-N
XLogP4.48
TPSA133.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-[5-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide (CID 130405117) is N-[5-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[5-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[5-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide is Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cnc(-c2cn(C)nc2C)c(C#N)c1.
What is the InChIKey of N-[5-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide?
The InChIKey is RTOUFAGTYWEUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N8O/c1-16-22(20-8-19(11-28)25(32-12-20)23-14-35(5)34-17(23)2)10-21(13-31-16)33-26(36)18-6-7-30-24(9-18)27(3,4)15-29/h6-10,12-14H,1-5H3,(H,33,36).
What are the key properties of N-[5-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide?
N-[5-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide has a molecular weight of 476.54 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 130405117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).