N-[[3-(2-amino-4-pyridinyl)phenyl]methyl]acetamide

C14H15N3O — CID 144513421

IUPACN-[[3-(2-amino-4-pyridinyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(-c2ccnc(N)c2)c1
InChIInChI=1S/C14H15N3O/c1-10(18)17-9-11-3-2-4-12(7-11)13-5-6-16-14(15)8-13/h2-8H,9H2,1H3,(H2,15,16)(H,17,18)
InChIKeyVTDNUVPNBUNBMX-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.97
Rot. Bonds3

About N-[[3-(2-amino-4-pyridinyl)phenyl]methyl]acetamide

N-[[3-(2-amino-4-pyridinyl)phenyl]methyl]acetamide (PubChem CID 144513421) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[[3-(2-amino-4-pyridinyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-(2-amino-4-pyridinyl)phenyl]methyl]acetamide
PubChem CID144513421
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-[[3-(2-amino-4-pyridinyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(-c2ccnc(N)c2)c1
InChIInChI=1S/C14H15N3O/c1-10(18)17-9-11-3-2-4-12(7-11)13-5-6-16-14(15)8-13/h2-8H,9H2,1H3,(H2,15,16)(H,17,18)
InChIKeyVTDNUVPNBUNBMX-UHFFFAOYSA-N
XLogP1.97
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[2-(methylamino)-4-pyridinyl]phenyl]methyl]acetamide
CID 123422465
N-[[3-(6-amino-3-pyridinyl)phenyl]methyl]acetamide
CID 90125227
N-[[3-(4-hydroxyphenyl)phenyl]methyl]acetamide
CID 56704021
methyl 3-(2-amino-4-pyridinyl)benzoate
CID 82556028
3-[3-(acetamidomethyl)phenyl]-N-propylpyridine-2-carboxamide
CID 110122033
6-(2-amino-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 57403071
acetamide;ethane;N-[[4-(3-propylphenyl)phenyl]methyl]acetamide
CID 156747649
2-amino-N-benzylpyridine-4-carboxamide
CID 18752897
N-[[3-[[3-(acetamidomethyl)phenyl]disulfanyl]phenyl]methyl]acetamide
CID 118256362
[3-(acetamidomethyl)phenyl]-methyltin
CID 59658577
4-amino-N-[(3-pyridin-4-ylphenyl)methyl]butanamide
CID 110460835
3-[3-(acetamidomethyl)phenyl]-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide
CID 110121992

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-amino-4-pyridinyl)phenyl]methyl]acetamide?
The IUPAC name of N-[[3-(2-amino-4-pyridinyl)phenyl]methyl]acetamide (CID 144513421) is N-[[3-(2-amino-4-pyridinyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-(2-amino-4-pyridinyl)phenyl]methyl]acetamide?
The canonical SMILES for N-[[3-(2-amino-4-pyridinyl)phenyl]methyl]acetamide is CC(=O)NCc1cccc(-c2ccnc(N)c2)c1.
What is the InChIKey of N-[[3-(2-amino-4-pyridinyl)phenyl]methyl]acetamide?
The InChIKey is VTDNUVPNBUNBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10(18)17-9-11-3-2-4-12(7-11)13-5-6-16-14(15)8-13/h2-8H,9H2,1H3,(H2,15,16)(H,17,18).
What are the key properties of N-[[3-(2-amino-4-pyridinyl)phenyl]methyl]acetamide?
N-[[3-(2-amino-4-pyridinyl)phenyl]methyl]acetamide has a molecular weight of 241.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-amino-4-pyridinyl)phenyl]methyl]acetamide is sourced from PubChem (CID 144513421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).