N-[(4-amino-3H-pyridin-4-yl)methyl]acetamide

C8H13N3O — CID 69449851

IUPACN-[(4-amino-3H-pyridin-4-yl)methyl]acetamide
SMILESCC(=O)NCC1(N)C=CN=CC1
InChIInChI=1S/C8H13N3O/c1-7(12)11-6-8(9)2-4-10-5-3-8/h2,4-5H,3,6,9H2,1H3,(H,11,12)
InChIKeySMMMMFCSPWNCEN-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.19
Rot. Bonds2

About N-[(4-amino-3H-pyridin-4-yl)methyl]acetamide

N-[(4-amino-3H-pyridin-4-yl)methyl]acetamide (PubChem CID 69449851) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-[(4-amino-3H-pyridin-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-amino-3H-pyridin-4-yl)methyl]acetamide
PubChem CID69449851
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-[(4-amino-3H-pyridin-4-yl)methyl]acetamide
SMILESCC(=O)NCC1(N)C=CN=CC1
InChIInChI=1S/C8H13N3O/c1-7(12)11-6-8(9)2-4-10-5-3-8/h2,4-5H,3,6,9H2,1H3,(H,11,12)
InChIKeySMMMMFCSPWNCEN-UHFFFAOYSA-N
XLogP-0.19
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-amino-3H-pyridin-4-yl)methyl]acetamide?
The IUPAC name of N-[(4-amino-3H-pyridin-4-yl)methyl]acetamide (CID 69449851) is N-[(4-amino-3H-pyridin-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(4-amino-3H-pyridin-4-yl)methyl]acetamide?
The canonical SMILES for N-[(4-amino-3H-pyridin-4-yl)methyl]acetamide is CC(=O)NCC1(N)C=CN=CC1.
What is the InChIKey of N-[(4-amino-3H-pyridin-4-yl)methyl]acetamide?
The InChIKey is SMMMMFCSPWNCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-7(12)11-6-8(9)2-4-10-5-3-8/h2,4-5H,3,6,9H2,1H3,(H,11,12).
What are the key properties of N-[(4-amino-3H-pyridin-4-yl)methyl]acetamide?
N-[(4-amino-3H-pyridin-4-yl)methyl]acetamide has a molecular weight of 167.21 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-amino-3H-pyridin-4-yl)methyl]acetamide is sourced from PubChem (CID 69449851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).