N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

C18H17N5O — CID 94571765

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(-n2cncn2)c1)[C@H]1CCc2ccccc21
InChIInChI=1S/C18H17N5O/c1-22(16-7-6-13-4-2-3-5-15(13)16)18(24)14-8-9-20-17(10-14)23-12-19-11-21-23/h2-5,8-12,16H,6-7H2,1H3/t16-/m0/s1
InChIKeyPQYFKOLRLYDCJO-INIZCTEOSA-N
MW319.37 g/mol
LogP2.42
Rot. Bonds3

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (PubChem CID 94571765) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
PubChem CID94571765
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(-n2cncn2)c1)[C@H]1CCc2ccccc21
InChIInChI=1S/C18H17N5O/c1-22(16-7-6-13-4-2-3-5-15(13)16)18(24)14-8-9-20-17(10-14)23-12-19-11-21-23/h2-5,8-12,16H,6-7H2,1H3/t16-/m0/s1
InChIKeyPQYFKOLRLYDCJO-INIZCTEOSA-N
XLogP2.42
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-2-imidazol-1-yl-N-methylpyridine-4-carboxamide
CID 51085905
N-(2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091744
2-imidazol-1-yl-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide
CID 94816782
2-bromo-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 103754184
N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94815803
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94815804
N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 42916496
N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazine-2-carboxamide
CID 42941214
N-(3,4-dihydro-2H-chromen-4-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51087861
3-(chloromethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 43578962
4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 43575493
N-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091886

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (CID 94571765) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is CN(C(=O)c1ccnc(-n2cncn2)c1)[C@H]1CCc2ccccc21.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The InChIKey is PQYFKOLRLYDCJO-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17N5O/c1-22(16-7-6-13-4-2-3-5-15(13)16)18(24)14-8-9-20-17(10-14)23-12-19-11-21-23/h2-5,8-12,16H,6-7H2,1H3/t16-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 94571765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).