N-(6-anilino-3-pyridinyl)-4-methoxypiperidine-4-carboxamide;dihydrochloride

C18H24Cl2N4O2 — CID 119870640

IUPACN-(6-anilino-3-pyridinyl)-4-methoxypiperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)Nc2ccc(Nc3ccccc3)nc2)CCNCC1.Cl.Cl
InChIInChI=1S/C18H22N4O2.2ClH/c1-24-18(9-11-19-12-10-18)17(23)22-15-7-8-16(20-13-15)21-14-5-3-2-4-6-14;;/h2-8,13,19H,9-12H2,1H3,(H,20,21)(H,22,23);2*1H
InChIKeyTWWJRHCGGGJCPV-UHFFFAOYSA-N
MW399.32 g/mol
LogP3.38
Rot. Bonds5

About N-(6-anilino-3-pyridinyl)-4-methoxypiperidine-4-carboxamide;dihydrochloride

N-(6-anilino-3-pyridinyl)-4-methoxypiperidine-4-carboxamide;dihydrochloride (PubChem CID 119870640) has the molecular formula C18H24Cl2N4O2 and a molecular weight of 399.32 g/mol. Its IUPAC name is N-(6-anilino-3-pyridinyl)-4-methoxypiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(6-anilino-3-pyridinyl)-4-methoxypiperidine-4-carboxamide;dihydrochloride
PubChem CID119870640
Molecular FormulaC18H24Cl2N4O2
Molecular Weight399.32 g/mol
Exact Mass398.13
IUPAC NameN-(6-anilino-3-pyridinyl)-4-methoxypiperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)Nc2ccc(Nc3ccccc3)nc2)CCNCC1.Cl.Cl
InChIInChI=1S/C18H22N4O2.2ClH/c1-24-18(9-11-19-12-10-18)17(23)22-15-7-8-16(20-13-15)21-14-5-3-2-4-6-14;;/h2-8,13,19H,9-12H2,1H3,(H,20,21)(H,22,23);2*1H
InChIKeyTWWJRHCGGGJCPV-UHFFFAOYSA-N
XLogP3.38
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.32
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-benzamido-3-pyridinyl)-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119893893
4-methoxy-N-[4-(phenylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119700736
4-methoxy-N-[4-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 119756449
4-methoxy-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119670964
4-methoxy-N-(1-phenylpyrazol-4-yl)piperidine-4-carboxamide;hydrochloride
CID 119753029
4-methoxy-N-(4-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119671002
4-methoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119714272
N-(4-chlorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119671235
4-methoxy-N-[3-(pyridin-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119870520
4-methoxy-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119672814
N-(3,4-dimethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119670646
4-methoxy-N-(3-pyridin-2-yloxyphenyl)piperidine-4-carboxamide
CID 119884858

Frequently Asked Questions

What is the IUPAC name of N-(6-anilino-3-pyridinyl)-4-methoxypiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-(6-anilino-3-pyridinyl)-4-methoxypiperidine-4-carboxamide;dihydrochloride (CID 119870640) is N-(6-anilino-3-pyridinyl)-4-methoxypiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(6-anilino-3-pyridinyl)-4-methoxypiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(6-anilino-3-pyridinyl)-4-methoxypiperidine-4-carboxamide;dihydrochloride is COC1(C(=O)Nc2ccc(Nc3ccccc3)nc2)CCNCC1.Cl.Cl.
What is the InChIKey of N-(6-anilino-3-pyridinyl)-4-methoxypiperidine-4-carboxamide;dihydrochloride?
The InChIKey is TWWJRHCGGGJCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2.2ClH/c1-24-18(9-11-19-12-10-18)17(23)22-15-7-8-16(20-13-15)21-14-5-3-2-4-6-14;;/h2-8,13,19H,9-12H2,1H3,(H,20,21)(H,22,23);2*1H.
What are the key properties of N-(6-anilino-3-pyridinyl)-4-methoxypiperidine-4-carboxamide;dihydrochloride?
N-(6-anilino-3-pyridinyl)-4-methoxypiperidine-4-carboxamide;dihydrochloride has a molecular weight of 399.32 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-anilino-3-pyridinyl)-4-methoxypiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119870640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).