6-(1-cyanocyclopropyl)-N-(4-cyclopropylbutyl)-4-(1,5-dimethylpyrazol-4-yl)-5-methylpyridine-2-carboxamide

C23H29N5O — CID 176975788

IUPAC6-(1-cyanocyclopropyl)-N-(4-cyclopropylbutyl)-4-(1,5-dimethylpyrazol-4-yl)-5-methylpyridine-2-carboxamide
SMILESCc1c(-c2cnn(C)c2C)cc(C(=O)NCCCCC2CC2)nc1C1(C#N)CC1
InChIInChI=1S/C23H29N5O/c1-15-18(19-13-26-28(3)16(19)2)12-20(27-21(15)23(14-24)9-10-23)22(29)25-11-5-4-6-17-7-8-17/h12-13,17H,4-11H2,1-3H3,(H,25,29)
InChIKeyMTPHSCSJLXBYAW-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.96
Rot. Bonds8

About 6-(1-cyanocyclopropyl)-N-(4-cyclopropylbutyl)-4-(1,5-dimethylpyrazol-4-yl)-5-methylpyridine-2-carboxamide

6-(1-cyanocyclopropyl)-N-(4-cyclopropylbutyl)-4-(1,5-dimethylpyrazol-4-yl)-5-methylpyridine-2-carboxamide (PubChem CID 176975788) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 6-(1-cyanocyclopropyl)-N-(4-cyclopropylbutyl)-4-(1,5-dimethylpyrazol-4-yl)-5-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(1-cyanocyclopropyl)-N-(4-cyclopropylbutyl)-4-(1,5-dimethylpyrazol-4-yl)-5-methylpyridine-2-carboxamide
PubChem CID176975788
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name6-(1-cyanocyclopropyl)-N-(4-cyclopropylbutyl)-4-(1,5-dimethylpyrazol-4-yl)-5-methylpyridine-2-carboxamide
SMILESCc1c(-c2cnn(C)c2C)cc(C(=O)NCCCCC2CC2)nc1C1(C#N)CC1
InChIInChI=1S/C23H29N5O/c1-15-18(19-13-26-28(3)16(19)2)12-20(27-21(15)23(14-24)9-10-23)22(29)25-11-5-4-6-17-7-8-17/h12-13,17H,4-11H2,1-3H3,(H,25,29)
InChIKeyMTPHSCSJLXBYAW-UHFFFAOYSA-N
XLogP3.96
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyanocyclopropyl)-N-(4-cyclopropylbutyl)-4-(1,5-dimethylpyrazol-4-yl)-5-methylpyridine-2-carboxamide?
The IUPAC name of 6-(1-cyanocyclopropyl)-N-(4-cyclopropylbutyl)-4-(1,5-dimethylpyrazol-4-yl)-5-methylpyridine-2-carboxamide (CID 176975788) is 6-(1-cyanocyclopropyl)-N-(4-cyclopropylbutyl)-4-(1,5-dimethylpyrazol-4-yl)-5-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-(1-cyanocyclopropyl)-N-(4-cyclopropylbutyl)-4-(1,5-dimethylpyrazol-4-yl)-5-methylpyridine-2-carboxamide?
The canonical SMILES for 6-(1-cyanocyclopropyl)-N-(4-cyclopropylbutyl)-4-(1,5-dimethylpyrazol-4-yl)-5-methylpyridine-2-carboxamide is Cc1c(-c2cnn(C)c2C)cc(C(=O)NCCCCC2CC2)nc1C1(C#N)CC1.
What is the InChIKey of 6-(1-cyanocyclopropyl)-N-(4-cyclopropylbutyl)-4-(1,5-dimethylpyrazol-4-yl)-5-methylpyridine-2-carboxamide?
The InChIKey is MTPHSCSJLXBYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-15-18(19-13-26-28(3)16(19)2)12-20(27-21(15)23(14-24)9-10-23)22(29)25-11-5-4-6-17-7-8-17/h12-13,17H,4-11H2,1-3H3,(H,25,29).
What are the key properties of 6-(1-cyanocyclopropyl)-N-(4-cyclopropylbutyl)-4-(1,5-dimethylpyrazol-4-yl)-5-methylpyridine-2-carboxamide?
6-(1-cyanocyclopropyl)-N-(4-cyclopropylbutyl)-4-(1,5-dimethylpyrazol-4-yl)-5-methylpyridine-2-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyanocyclopropyl)-N-(4-cyclopropylbutyl)-4-(1,5-dimethylpyrazol-4-yl)-5-methylpyridine-2-carboxamide is sourced from PubChem (CID 176975788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).