2-[4-(aminomethyl)phenyl]-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide

C18H19N5O — CID 166337815

IUPAC2-[4-(aminomethyl)phenyl]-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
SMILESNCc1ccc(CC(=O)NCc2cccnc2-n2cccn2)cc1
InChIInChI=1S/C18H19N5O/c19-12-15-6-4-14(5-7-15)11-17(24)21-13-16-3-1-8-20-18(16)23-10-2-9-22-23/h1-10H,11-13,19H2,(H,21,24)
InChIKeyHQMHHNCILZPPGK-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.58
Rot. Bonds6

About 2-[4-(aminomethyl)phenyl]-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide

2-[4-(aminomethyl)phenyl]-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide (PubChem CID 166337815) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
PubChem CID166337815
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-[4-(aminomethyl)phenyl]-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
SMILESNCc1ccc(CC(=O)NCc2cccnc2-n2cccn2)cc1
InChIInChI=1S/C18H19N5O/c19-12-15-6-4-14(5-7-15)11-17(24)21-13-16-3-1-8-20-18(16)23-10-2-9-22-23/h1-10H,11-13,19H2,(H,21,24)
InChIKeyHQMHHNCILZPPGK-UHFFFAOYSA-N
XLogP1.58
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylamino)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
CID 120703672
N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanecarboxamide
CID 31968520
4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3H-phthalazine-1-carboxamide
CID 47029005
4-(4-methylphenoxy)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 31968271
2-phenoxy-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
CID 46431766
3-piperidin-4-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide;hydrochloride
CID 122084280
1-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea
CID 47080000
5-(benzenesulfonylmethyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]furan-2-carboxamide
CID 55653064
methyl N-[4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]carbamate
CID 55799910
N-[[4-(aminomethyl)phenyl]methyl]-2-pyrazol-1-ylacetamide
CID 81090478
3-(benzenesulfonamido)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide
CID 46431752
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
CID 47029004

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide (CID 166337815) is 2-[4-(aminomethyl)phenyl]-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide is NCc1ccc(CC(=O)NCc2cccnc2-n2cccn2)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide?
The InChIKey is HQMHHNCILZPPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c19-12-15-6-4-14(5-7-15)11-17(24)21-13-16-3-1-8-20-18(16)23-10-2-9-22-23/h1-10H,11-13,19H2,(H,21,24).
What are the key properties of 2-[4-(aminomethyl)phenyl]-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide?
2-[4-(aminomethyl)phenyl]-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide has a molecular weight of 321.38 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 166337815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).