N-[2-[(4-methoxyphenyl)methylamino]ethyl]pyridine-3-carboxamide

C16H19N3O2 — CID 4238549

IUPACN-[2-[(4-methoxyphenyl)methylamino]ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(CNCCNC(=O)c2cccnc2)cc1
InChIInChI=1S/C16H19N3O2/c1-21-15-6-4-13(5-7-15)11-18-9-10-19-16(20)14-3-2-8-17-12-14/h2-8,12,18H,9-11H2,1H3,(H,19,20)
InChIKeyFDIRZMSMNDQJRX-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.61
Rot. Bonds7

About N-[2-[(4-methoxyphenyl)methylamino]ethyl]pyridine-3-carboxamide

N-[2-[(4-methoxyphenyl)methylamino]ethyl]pyridine-3-carboxamide (PubChem CID 4238549) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)methylamino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)methylamino]ethyl]pyridine-3-carboxamide
PubChem CID4238549
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[2-[(4-methoxyphenyl)methylamino]ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(CNCCNC(=O)c2cccnc2)cc1
InChIInChI=1S/C16H19N3O2/c1-21-15-6-4-13(5-7-15)11-18-9-10-19-16(20)14-3-2-8-17-12-14/h2-8,12,18H,9-11H2,1H3,(H,19,20)
InChIKeyFDIRZMSMNDQJRX-UHFFFAOYSA-N
XLogP1.61
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-methylphenyl)methylamino]ethyl]pyridine-3-carboxamide
CID 3338118
N-[2-[[N-ethyl-N'-[2-(4-methoxyphenyl)ethyl]carbamimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111170543
N-[[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925746
3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 4543569
N-[[2-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925861
6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157222
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 39023791
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 39580083
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47178927
N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide
CID 113070510
N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyridine-3-carboxamide
CID 51094308
2-[(4-methoxyphenyl)methylamino]ethylurea
CID 83110239

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)methylamino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(4-methoxyphenyl)methylamino]ethyl]pyridine-3-carboxamide (CID 4238549) is N-[2-[(4-methoxyphenyl)methylamino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)methylamino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(4-methoxyphenyl)methylamino]ethyl]pyridine-3-carboxamide is COc1ccc(CNCCNC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenyl)methylamino]ethyl]pyridine-3-carboxamide?
The InChIKey is FDIRZMSMNDQJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-21-15-6-4-13(5-7-15)11-18-9-10-19-16(20)14-3-2-8-17-12-14/h2-8,12,18H,9-11H2,1H3,(H,19,20).
What are the key properties of N-[2-[(4-methoxyphenyl)methylamino]ethyl]pyridine-3-carboxamide?
N-[2-[(4-methoxyphenyl)methylamino]ethyl]pyridine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)methylamino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 4238549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).