6-(4-amino-3-fluorophenyl)-2-methyl-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide

C20H25FN4O — CID 91201496

IUPAC6-(4-amino-3-fluorophenyl)-2-methyl-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESCc1nc(-c2ccc(N)c(F)c2)ccc1C(=O)NCCN1CCCCC1
InChIInChI=1S/C20H25FN4O/c1-14-16(20(26)23-9-12-25-10-3-2-4-11-25)6-8-19(24-14)15-5-7-18(22)17(21)13-15/h5-8,13H,2-4,9-12,22H2,1H3,(H,23,26)
InChIKeyMSQPDRSRUUMRJG-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.99
Rot. Bonds5

About 6-(4-amino-3-fluorophenyl)-2-methyl-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide

6-(4-amino-3-fluorophenyl)-2-methyl-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 91201496) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is 6-(4-amino-3-fluorophenyl)-2-methyl-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-amino-3-fluorophenyl)-2-methyl-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID91201496
Molecular FormulaC20H25FN4O
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC Name6-(4-amino-3-fluorophenyl)-2-methyl-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESCc1nc(-c2ccc(N)c(F)c2)ccc1C(=O)NCCN1CCCCC1
InChIInChI=1S/C20H25FN4O/c1-14-16(20(26)23-9-12-25-10-3-2-4-11-25)6-8-19(24-14)15-5-7-18(22)17(21)13-15/h5-8,13H,2-4,9-12,22H2,1H3,(H,23,26)
InChIKeyMSQPDRSRUUMRJG-UHFFFAOYSA-N
XLogP2.99
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-(Dimethylamino)ethyl)acridine-4-carboxamide
CID 107805
Niaprazine
CID 71919
(3,3-Dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone
CID 24808495
9-amino-N-(3-(dimethylamino)propyl)acridine-4-carboxamide
CID 150238
Azd9574
CID 162524593
SN-28049
CID 9862688
N-((4-dimethylamino)butyl)-9-aminoacridine-4-carboxamide
CID 124660
9-Amino-N-(2-(dimethylamino)ethyl)-4-acridinecarboxamide
CID 128962
n-(2-Aminophenyl)-4-{5-[(4-ethylpiperazin-1-yl)methyl]-3-fluoropyridin-2-yl}benzamide
CID 11683474
6-(3-Fluorophenyl)-N-[1-(2,2,2-Trifluoroethyl)piperidin-4-Yl]pyridine-3-Carboxamide
CID 24991044
4-[(1-hydroxyquinolin-5-ylidene)amino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 53492820
6-Phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]nicotinamide
CID 59743886

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-3-fluorophenyl)-2-methyl-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-amino-3-fluorophenyl)-2-methyl-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (CID 91201496) is 6-(4-amino-3-fluorophenyl)-2-methyl-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-amino-3-fluorophenyl)-2-methyl-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-amino-3-fluorophenyl)-2-methyl-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide is Cc1nc(-c2ccc(N)c(F)c2)ccc1C(=O)NCCN1CCCCC1.
What is the InChIKey of 6-(4-amino-3-fluorophenyl)-2-methyl-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is MSQPDRSRUUMRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-14-16(20(26)23-9-12-25-10-3-2-4-11-25)6-8-19(24-14)15-5-7-18(22)17(21)13-15/h5-8,13H,2-4,9-12,22H2,1H3,(H,23,26).
What are the key properties of 6-(4-amino-3-fluorophenyl)-2-methyl-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
6-(4-amino-3-fluorophenyl)-2-methyl-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-3-fluorophenyl)-2-methyl-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 91201496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).