2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-4-carboxamide

C14H19N5O — CID 104618611

IUPAC2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-4-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccnc(CN)c2)n[nH]1
InChIInChI=1S/C14H19N5O/c1-14(2,3)11-7-12(19-18-11)17-13(20)9-4-5-16-10(6-9)8-15/h4-7H,8,15H2,1-3H3,(H2,17,18,19,20)
InChIKeyNNCAHDLFSHNDJW-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.81
Rot. Bonds3

About 2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-4-carboxamide

2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-4-carboxamide (PubChem CID 104618611) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-4-carboxamide
PubChem CID104618611
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-4-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccnc(CN)c2)n[nH]1
InChIInChI=1S/C14H19N5O/c1-14(2,3)11-7-12(19-18-11)17-13(20)9-4-5-16-10(6-9)8-15/h4-7H,8,15H2,1-3H3,(H2,17,18,19,20)
InChIKeyNNCAHDLFSHNDJW-UHFFFAOYSA-N
XLogP1.81
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(5-propyl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 104618234
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(hydroxymethyl)benzamide
CID 104620011
N-(5-tert-butyl-1H-pyrazol-3-yl)furan-3-carboxamide
CID 47343702
4-amino-3-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzamide
CID 104618642
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-chloro-3-methylbenzamide
CID 115694776
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 115589899
2-[2-(aminomethyl)phenyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 104618499
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 171352339
2-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 114326756
N-(5-tert-butyl-1H-pyrazol-3-yl)-9-oxofluorene-2-carboxamide
CID 55977209
2-(aminomethyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 114326356
2-(aminomethyl)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide
CID 114326701

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-4-carboxamide (CID 104618611) is 2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-4-carboxamide is CC(C)(C)c1cc(NC(=O)c2ccnc(CN)c2)n[nH]1.
What is the InChIKey of 2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-4-carboxamide?
The InChIKey is NNCAHDLFSHNDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-14(2,3)11-7-12(19-18-11)17-13(20)9-4-5-16-10(6-9)8-15/h4-7H,8,15H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 104618611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).