2-(2-fluoroanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;dihydrochloride

C20H27Cl2FN4O2 — CID 120890702

IUPAC2-(2-fluoroanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;dihydrochloride
SMILESCOCC1(CNC(=O)c2cccnc2Nc2ccccc2F)CCNCC1.Cl.Cl
InChIInChI=1S/C20H25FN4O2.2ClH/c1-27-14-20(8-11-22-12-9-20)13-24-19(26)15-5-4-10-23-18(15)25-17-7-3-2-6-16(17)21;;/h2-7,10,22H,8-9,11-14H2,1H3,(H,23,25)(H,24,26);2*1H
InChIKeyBHJCKVRMCCDPDB-UHFFFAOYSA-N
MW445.37 g/mol
LogP3.55
Rot. Bonds7

About 2-(2-fluoroanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;dihydrochloride

2-(2-fluoroanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;dihydrochloride (PubChem CID 120890702) has the molecular formula C20H27Cl2FN4O2 and a molecular weight of 445.37 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-fluoroanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;dihydrochloride
PubChem CID120890702
Molecular FormulaC20H27Cl2FN4O2
Molecular Weight445.37 g/mol
Exact Mass444.15
IUPAC Name2-(2-fluoroanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;dihydrochloride
SMILESCOCC1(CNC(=O)c2cccnc2Nc2ccccc2F)CCNCC1.Cl.Cl
InChIInChI=1S/C20H25FN4O2.2ClH/c1-27-14-20(8-11-22-12-9-20)13-24-19(26)15-5-4-10-23-18(15)25-17-7-3-2-6-16(17)21;;/h2-7,10,22H,8-9,11-14H2,1H3,(H,23,25)(H,24,26);2*1H
InChIKeyBHJCKVRMCCDPDB-UHFFFAOYSA-N
XLogP3.55
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.37
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888755
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
methyl 2-[[2-(2-fluoroanilino)pyridine-3-carbonyl]amino]acetate
CID 134008874
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 120890644
2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide
CID 120889901
2-(2-fluoroanilino)-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 119444821
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yloxypyridine-2-carboxamide;dihydrochloride
CID 120888008
2-(2,6-difluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891811
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide;dihydrochloride
CID 120889018
2-(2-amino-2-oxoethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120892177
6-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoline-8-carboxamide
CID 120890313

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 2-(2-fluoroanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;dihydrochloride (CID 120890702) is 2-(2-fluoroanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(2-fluoroanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 2-(2-fluoroanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;dihydrochloride is COCC1(CNC(=O)c2cccnc2Nc2ccccc2F)CCNCC1.Cl.Cl.
What is the InChIKey of 2-(2-fluoroanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;dihydrochloride?
The InChIKey is BHJCKVRMCCDPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2.2ClH/c1-27-14-20(8-11-22-12-9-20)13-24-19(26)15-5-4-10-23-18(15)25-17-7-3-2-6-16(17)21;;/h2-7,10,22H,8-9,11-14H2,1H3,(H,23,25)(H,24,26);2*1H.
What are the key properties of 2-(2-fluoroanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;dihydrochloride?
2-(2-fluoroanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 445.37 g/mol, XLogP of 3.55, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120890702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).