N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]adamantane-2-carboxamide

C18H21N5O — CID 167868250

IUPACN-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]adamantane-2-carboxamide
SMILESO=C(Nc1cccnc1-n1cncn1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H21N5O/c24-18(16-13-5-11-4-12(7-13)8-14(16)6-11)22-15-2-1-3-20-17(15)23-10-19-9-21-23/h1-3,9-14,16H,4-8H2,(H,22,24)
InChIKeyZZLRHMGJFKFZLC-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.67
Rot. Bonds3

About N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]adamantane-2-carboxamide

N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]adamantane-2-carboxamide (PubChem CID 167868250) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]adamantane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]adamantane-2-carboxamide
PubChem CID167868250
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]adamantane-2-carboxamide
SMILESO=C(Nc1cccnc1-n1cncn1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H21N5O/c24-18(16-13-5-11-4-12(7-13)8-14(16)6-11)22-15-2-1-3-20-17(15)23-10-19-9-21-23/h1-3,9-14,16H,4-8H2,(H,22,24)
InChIKeyZZLRHMGJFKFZLC-UHFFFAOYSA-N
XLogP2.67
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]adamantane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 61169536
2-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide
CID 64822462
(2S)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide
CID 104913644
(2R)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide
CID 104913643
2-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 79388465
4-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide
CID 114423652
N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51098013
4-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 51983091
1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 99839776
4-oxo-4-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]but-2-enoic acid
CID 61167729
2-methoxy-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide
CID 62046673
6-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridazine-3-carboxamide
CID 61217247

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]adamantane-2-carboxamide?
The IUPAC name of N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]adamantane-2-carboxamide (CID 167868250) is N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]adamantane-2-carboxamide.
What is the SMILES notation for N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]adamantane-2-carboxamide?
The canonical SMILES for N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]adamantane-2-carboxamide is O=C(Nc1cccnc1-n1cncn1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]adamantane-2-carboxamide?
The InChIKey is ZZLRHMGJFKFZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c24-18(16-13-5-11-4-12(7-13)8-14(16)6-11)22-15-2-1-3-20-17(15)23-10-19-9-21-23/h1-3,9-14,16H,4-8H2,(H,22,24).
What are the key properties of N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]adamantane-2-carboxamide?
N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]adamantane-2-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]adamantane-2-carboxamide is sourced from PubChem (CID 167868250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).