N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C22H29N5O — CID 136546232

IUPACN-[(1-cyclopropylpiperidin-4-yl)methyl]-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCC1CCN(C2CC2)CC1)C1CCc2nnc(-c3ccccc3)n2C1
InChIInChI=1S/C22H29N5O/c28-22(23-14-16-10-12-26(13-11-16)19-7-8-19)18-6-9-20-24-25-21(27(20)15-18)17-4-2-1-3-5-17/h1-5,16,18-19H,6-15H2,(H,23,28)
InChIKeyLALZNQXDWLZFQQ-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.50
Rot. Bonds5

About N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 136546232) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopropylpiperidin-4-yl)methyl]-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID136546232
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC NameN-[(1-cyclopropylpiperidin-4-yl)methyl]-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCC1CCN(C2CC2)CC1)C1CCc2nnc(-c3ccccc3)n2C1
InChIInChI=1S/C22H29N5O/c28-22(23-14-16-10-12-26(13-11-16)19-7-8-19)18-6-9-20-24-25-21(27(20)15-18)17-4-2-1-3-5-17/h1-5,16,18-19H,6-15H2,(H,23,28)
InChIKeyLALZNQXDWLZFQQ-UHFFFAOYSA-N
XLogP2.50
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 136546232) is N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(NCC1CCN(C2CC2)CC1)C1CCc2nnc(-c3ccccc3)n2C1.
What is the InChIKey of N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is LALZNQXDWLZFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c28-22(23-14-16-10-12-26(13-11-16)19-7-8-19)18-6-9-20-24-25-21(27(20)15-18)17-4-2-1-3-5-17/h1-5,16,18-19H,6-15H2,(H,23,28).
What are the key properties of N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 136546232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).