2-(methylamino)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide

C12H15N5O — CID 120703672

IUPAC2-(methylamino)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
SMILESCNCC(=O)NCc1cccnc1-n1cccn1
InChIInChI=1S/C12H15N5O/c1-13-9-11(18)15-8-10-4-2-5-14-12(10)17-7-3-6-16-17/h2-7,13H,8-9H2,1H3,(H,15,18)
InChIKeyRMAGWOZFWYMHGT-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.10
Rot. Bonds5

About 2-(methylamino)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide

2-(methylamino)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide (PubChem CID 120703672) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-(methylamino)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
PubChem CID120703672
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-(methylamino)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
SMILESCNCC(=O)NCc1cccnc1-n1cccn1
InChIInChI=1S/C12H15N5O/c1-13-9-11(18)15-8-10-4-2-5-14-12(10)17-7-3-6-16-17/h2-7,13H,8-9H2,1H3,(H,15,18)
InChIKeyRMAGWOZFWYMHGT-UHFFFAOYSA-N
XLogP0.10
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)phenyl]-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
CID 166337815
4-(4-methylphenoxy)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 31968271
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
2-phenoxy-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
CID 46431766
methyl N-[4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]carbamate
CID 55799910
3-piperidin-4-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide;hydrochloride
CID 122084280
(2S,3R)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 38431207
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
CID 47029004
2-(methylamino)-N-(quinolin-8-ylmethyl)acetamide
CID 81427166
methyl 2,4-dimethyl-5-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoyl]-1H-pyrrole-3-carboxylate
CID 31968120
1-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea
CID 47080000

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide (CID 120703672) is 2-(methylamino)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide is CNCC(=O)NCc1cccnc1-n1cccn1.
What is the InChIKey of 2-(methylamino)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide?
The InChIKey is RMAGWOZFWYMHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-13-9-11(18)15-8-10-4-2-5-14-12(10)17-7-3-6-16-17/h2-7,13H,8-9H2,1H3,(H,15,18).
What are the key properties of 2-(methylamino)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide?
2-(methylamino)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide has a molecular weight of 245.29 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 120703672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).