N-(3-formyl-4-pyridinyl)-4-methoxybenzamide

C14H12N2O3 — CID 170144141

IUPACN-(3-formyl-4-pyridinyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccncc2C=O)cc1
InChIInChI=1S/C14H12N2O3/c1-19-12-4-2-10(3-5-12)14(18)16-13-6-7-15-8-11(13)9-17/h2-9H,1H3,(H,15,16,18)
InChIKeyPKYBDNPXJZMAQW-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.15
Rot. Bonds4

About N-(3-formyl-4-pyridinyl)-4-methoxybenzamide

N-(3-formyl-4-pyridinyl)-4-methoxybenzamide (PubChem CID 170144141) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-(3-formyl-4-pyridinyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-formyl-4-pyridinyl)-4-methoxybenzamide
PubChem CID170144141
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC NameN-(3-formyl-4-pyridinyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccncc2C=O)cc1
InChIInChI=1S/C14H12N2O3/c1-19-12-4-2-10(3-5-12)14(18)16-13-6-7-15-8-11(13)9-17/h2-9H,1H3,(H,15,16,18)
InChIKeyPKYBDNPXJZMAQW-UHFFFAOYSA-N
XLogP2.15
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-formylphenyl)-4-methoxybenzamide
CID 585595
tert-butyl N-[3-[(4-methoxybenzoyl)amino]-4-pyridinyl]carbamate
CID 12069537
4-chloro-N-(2-formyl-4-methoxyphenyl)benzamide
CID 154101050
N-(3-formyl-4-pyridinyl)-2,2-dimethylpropanamide
CID 2779664
3-methoxy-N-[4-[(3-methyl-4-pyridinyl)carbamoyl]phenyl]benzamide
CID 167924078
N-[6-[(4-methoxybenzoyl)amino]-4-methyl-3-pyridinyl]pyridine-3-carboxamide
CID 1453015
N-(4-methoxyphenyl)isoquinoline-6-carboxamide
CID 110485186
N-(2-amino-4-methoxyphenyl)pyridine-4-carboxamide
CID 16776915
[2-[(4-methoxybenzoyl)amino]-4-pyridin-4-ylphenyl]carbamic acid
CID 69100917
N-imidazo[1,2-a]pyridin-8-yl-4-methoxybenzamide
CID 110735065
[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl (E)-3-(4-methyl-3-pyridinyl)prop-2-enoate
CID 166226439
N-formyl-4-methoxybenzamide
CID 10856056

Frequently Asked Questions

What is the IUPAC name of N-(3-formyl-4-pyridinyl)-4-methoxybenzamide?
The IUPAC name of N-(3-formyl-4-pyridinyl)-4-methoxybenzamide (CID 170144141) is N-(3-formyl-4-pyridinyl)-4-methoxybenzamide.
What is the SMILES notation for N-(3-formyl-4-pyridinyl)-4-methoxybenzamide?
The canonical SMILES for N-(3-formyl-4-pyridinyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccncc2C=O)cc1.
What is the InChIKey of N-(3-formyl-4-pyridinyl)-4-methoxybenzamide?
The InChIKey is PKYBDNPXJZMAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-19-12-4-2-10(3-5-12)14(18)16-13-6-7-15-8-11(13)9-17/h2-9H,1H3,(H,15,16,18).
What are the key properties of N-(3-formyl-4-pyridinyl)-4-methoxybenzamide?
N-(3-formyl-4-pyridinyl)-4-methoxybenzamide has a molecular weight of 256.26 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formyl-4-pyridinyl)-4-methoxybenzamide is sourced from PubChem (CID 170144141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).