4-[2-[2-(3,5-difluorophenyl)-1-formamidoethyl]-3-pyridinyl]pyridine-2-carboxamide

C20H16F2N4O2 — CID 144505376

IUPAC4-[2-[2-(3,5-difluorophenyl)-1-formamidoethyl]-3-pyridinyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2cccnc2C(Cc2cc(F)cc(F)c2)NC=O)ccn1
InChIInChI=1S/C20H16F2N4O2/c21-14-6-12(7-15(22)10-14)8-17(26-11-27)19-16(2-1-4-25-19)13-3-5-24-18(9-13)20(23)28/h1-7,9-11,17H,8H2,(H2,23,28)(H,26,27)
InChIKeyTYLYDXRMWSQVOW-UHFFFAOYSA-N
MW382.37 g/mol
LogP2.55
Rot. Bonds7

About 4-[2-[2-(3,5-difluorophenyl)-1-formamidoethyl]-3-pyridinyl]pyridine-2-carboxamide

4-[2-[2-(3,5-difluorophenyl)-1-formamidoethyl]-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 144505376) has the molecular formula C20H16F2N4O2 and a molecular weight of 382.37 g/mol. Its IUPAC name is 4-[2-[2-(3,5-difluorophenyl)-1-formamidoethyl]-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-[2-(3,5-difluorophenyl)-1-formamidoethyl]-3-pyridinyl]pyridine-2-carboxamide
PubChem CID144505376
Molecular FormulaC20H16F2N4O2
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC Name4-[2-[2-(3,5-difluorophenyl)-1-formamidoethyl]-3-pyridinyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2cccnc2C(Cc2cc(F)cc(F)c2)NC=O)ccn1
InChIInChI=1S/C20H16F2N4O2/c21-14-6-12(7-15(22)10-14)8-17(26-11-27)19-16(2-1-4-25-19)13-3-5-24-18(9-13)20(23)28/h1-7,9-11,17H,8H2,(H2,23,28)(H,26,27)
InChIKeyTYLYDXRMWSQVOW-UHFFFAOYSA-N
XLogP2.55
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-[2-(3,5-difluorophenyl)-1-formamidoethyl]-3-pyridinyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]formamide
CID 144505155
5-[2-[(1S)-1-(tert-butylsulfinylamino)-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 134345008
5-[2-[(1S)-1-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 89351015
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-formyl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 89351001
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[1-hydroxy-2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 135215854
3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-ethyl-5-[(Z)-prop-1-enyl]imidazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]benzamide
CID 71204570
5-[2-[2-(3,5-difluorophenyl)-1-[(3-hydroxy-2-phenylpropanoyl)amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 78023732
N-[2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(hydrazinecarbonyl)phenyl]-2-pyridinyl]ethyl]formamide;7-ethyl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one
CID 144505971
3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]benzamide
CID 90168103
3-[2-[(1S)-1-[[2-(5,6-difluoroindazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzamide
CID 135215958
5-[2-[(1S)-1-[(2-benzo[g]indol-1-ylacetyl)amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 71186993
3-ethyl-5-(trifluoromethyl)-1H-indole;N-[1-[3-[4-fluoro-3-(hydrazinecarbonyl)phenyl]-2-pyridinyl]-2-(3-fluoro-5-phosphanylphenyl)ethyl]formamide
CID 144505640

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(3,5-difluorophenyl)-1-formamidoethyl]-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 4-[2-[2-(3,5-difluorophenyl)-1-formamidoethyl]-3-pyridinyl]pyridine-2-carboxamide (CID 144505376) is 4-[2-[2-(3,5-difluorophenyl)-1-formamidoethyl]-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-[2-(3,5-difluorophenyl)-1-formamidoethyl]-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[2-[2-(3,5-difluorophenyl)-1-formamidoethyl]-3-pyridinyl]pyridine-2-carboxamide is NC(=O)c1cc(-c2cccnc2C(Cc2cc(F)cc(F)c2)NC=O)ccn1.
What is the InChIKey of 4-[2-[2-(3,5-difluorophenyl)-1-formamidoethyl]-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is TYLYDXRMWSQVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O2/c21-14-6-12(7-15(22)10-14)8-17(26-11-27)19-16(2-1-4-25-19)13-3-5-24-18(9-13)20(23)28/h1-7,9-11,17H,8H2,(H2,23,28)(H,26,27).
What are the key properties of 4-[2-[2-(3,5-difluorophenyl)-1-formamidoethyl]-3-pyridinyl]pyridine-2-carboxamide?
4-[2-[2-(3,5-difluorophenyl)-1-formamidoethyl]-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 382.37 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(3,5-difluorophenyl)-1-formamidoethyl]-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 144505376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).