6-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide

C17H15ClFN3O2 — CID 133430962

IUPAC6-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(NCC(O)c2ccc(Cl)c(F)c2)nc1
InChIInChI=1S/C17H15ClFN3O2/c1-2-7-20-17(24)12-4-6-16(21-9-12)22-10-15(23)11-3-5-13(18)14(19)8-11/h1,3-6,8-9,15,23H,7,10H2,(H,20,24)(H,21,22)
InChIKeyZZPBDGJTJRGDSZ-UHFFFAOYSA-N
MW347.78 g/mol
LogP2.38
Rot. Bonds6

About 6-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide

6-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide (PubChem CID 133430962) has the molecular formula C17H15ClFN3O2 and a molecular weight of 347.78 g/mol. Its IUPAC name is 6-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide
PubChem CID133430962
Molecular FormulaC17H15ClFN3O2
Molecular Weight347.78 g/mol
Exact Mass347.08
IUPAC Name6-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(NCC(O)c2ccc(Cl)c(F)c2)nc1
InChIInChI=1S/C17H15ClFN3O2/c1-2-7-20-17(24)12-4-6-16(21-9-12)22-10-15(23)11-3-5-13(18)14(19)8-11/h1,3-6,8-9,15,23H,7,10H2,(H,20,24)(H,21,22)
InChIKeyZZPBDGJTJRGDSZ-UHFFFAOYSA-N
XLogP2.38
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-ynylpyridine-3-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

6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133477137
6-[[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 99828598
6-[(4-chloro-3-fluorophenyl)methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133431133
N-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-1-ethylpyrazole-4-carboxamide
CID 75394518
1-(4-chloro-3-fluorophenyl)-2-[(6-fluoro-2-pyridinyl)amino]ethanol
CID 133411980
6-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-N,N-dimethylpyridine-3-carboxamide
CID 133308195
(2R)-2-[[5-(prop-2-ynylcarbamoyl)-2-pyridinyl]amino]propanoic acid
CID 122049964
N-[2-(2,4-dichlorophenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide
CID 109151833
1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 62773520
N-[(3R)-3-(4-chloro-3-fluorophenyl)-3-hydroxypropyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide
CID 90003011
1-(4-chloro-3-fluorophenyl)-2-[(4-methylpyrimidin-2-yl)amino]ethanol
CID 133411967
6-(cyclopent-3-en-1-ylamino)-N-prop-2-ynylpyridine-3-carboxamide
CID 133362088

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide?
The IUPAC name of 6-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide (CID 133430962) is 6-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide?
The canonical SMILES for 6-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide is C#CCNC(=O)c1ccc(NCC(O)c2ccc(Cl)c(F)c2)nc1.
What is the InChIKey of 6-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide?
The InChIKey is ZZPBDGJTJRGDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O2/c1-2-7-20-17(24)12-4-6-16(21-9-12)22-10-15(23)11-3-5-13(18)14(19)8-11/h1,3-6,8-9,15,23H,7,10H2,(H,20,24)(H,21,22).
What are the key properties of 6-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide?
6-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide has a molecular weight of 347.78 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide is sourced from PubChem (CID 133430962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).