N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide

C17H19N7O — CID 99928341

IUPACN-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide
SMILESO=C(NC[C@H]1CCCN(c2ncccn2)C1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C17H19N7O/c25-16(13-4-5-14-15(9-13)22-23-21-14)20-10-12-3-1-8-24(11-12)17-18-6-2-7-19-17/h2,4-7,9,12H,1,3,8,10-11H2,(H,20,25)(H,21,22,23)/t12-/m1/s1
InChIKeyZIRDWIUYBQAZLP-GFCCVEGCSA-N
MW337.39 g/mol
LogP1.39
Rot. Bonds4

About N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide

N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide (PubChem CID 99928341) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide
PubChem CID99928341
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC NameN-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide
SMILESO=C(NC[C@H]1CCCN(c2ncccn2)C1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C17H19N7O/c25-16(13-4-5-14-15(9-13)22-23-21-14)20-10-12-3-1-8-24(11-12)17-18-6-2-7-19-17/h2,4-7,9,12H,1,3,8,10-11H2,(H,20,25)(H,21,22,23)/t12-/m1/s1
InChIKeyZIRDWIUYBQAZLP-GFCCVEGCSA-N
XLogP1.39
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-2H-benzotriazole-5-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

N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-indole-6-carboxamide
CID 77088126
N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-pyrrole-3-carboxamide
CID 90652236
3-oxo-N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 99939662
5-chloro-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 90648732
4-methoxy-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 90649799
N-[[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide
CID 124750984
N-[[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 131919670
8-fluoro-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]quinoline-2-carboxamide
CID 97138878
2-[3-(2-aminoethoxy)phenyl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide
CID 118795123
N,N-dimethyl-4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]benzamide
CID 45177868
2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid
CID 62690962
1,2-dimethyl-3-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]guanidine
CID 97160556

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide (CID 99928341) is N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide is O=C(NC[C@H]1CCCN(c2ncccn2)C1)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide?
The InChIKey is ZIRDWIUYBQAZLP-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19N7O/c25-16(13-4-5-14-15(9-13)22-23-21-14)20-10-12-3-1-8-24(11-12)17-18-6-2-7-19-17/h2,4-7,9,12H,1,3,8,10-11H2,(H,20,25)(H,21,22,23)/t12-/m1/s1.
What are the key properties of N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide?
N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide has a molecular weight of 337.39 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 99928341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).