N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-hydroxyphenyl]-1-propan-2-ylpiperidine-4-carboxamide

C21H24Cl2N4O3 — CID 10182437

IUPACN-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-hydroxyphenyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N1CCC(C(=O)Nc2c(O)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C21H24Cl2N4O3/c1-12(2)27-7-5-13(6-8-27)20(29)26-19-16(9-15(23)10-17(19)28)21(30)25-18-4-3-14(22)11-24-18/h3-4,9-13,28H,5-8H2,1-2H3,(H,26,29)(H,24,25,30)
InChIKeyCSCHFAMAQJODMA-UHFFFAOYSA-N
MW451.35 g/mol
LogP4.41
Rot. Bonds5

About N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-hydroxyphenyl]-1-propan-2-ylpiperidine-4-carboxamide

N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-hydroxyphenyl]-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 10182437) has the molecular formula C21H24Cl2N4O3 and a molecular weight of 451.35 g/mol. Its IUPAC name is N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-hydroxyphenyl]-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-hydroxyphenyl]-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID10182437
Molecular FormulaC21H24Cl2N4O3
Molecular Weight451.35 g/mol
Exact Mass450.12
IUPAC NameN-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-hydroxyphenyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N1CCC(C(=O)Nc2c(O)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C21H24Cl2N4O3/c1-12(2)27-7-5-13(6-8-27)20(29)26-19-16(9-15(23)10-17(19)28)21(30)25-18-4-3-14(22)11-24-18/h3-4,9-13,28H,5-8H2,1-2H3,(H,26,29)(H,24,25,30)
InChIKeyCSCHFAMAQJODMA-UHFFFAOYSA-N
XLogP4.41
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.35
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 68958020
N-(5-chloro-2-pyridinyl)-6-methyl-3-[(1-propan-2-ylpiperidine-4-carbonyl)amino]pyridine-2-carboxamide
CID 20619862
N-(5-chloro-2-pyridinyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 166193179
N-(5-chloro-2-pyridinyl)-2-methylsulfanyl-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 10297855
N-[2-[1-[(5-chloro-2-pyridinyl)amino]ethenyl]-4-ethylphenyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 20739781
1-(1-anilino-1-oxopropan-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55816221
3-amino-N-(5-chloro-2-pyridinyl)-1-benzofuran-2-carboxamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-3-yl]-1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidine-4-carboxylic acid;hydrochloride
CID 161193935
[(3R)-1-propan-2-ylpyrrolidin-3-yl] N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamate
CID 59101512
(3S)-1-[(2S)-1-amino-1-oxopropan-2-yl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 94135862
5-chloro-N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoylbenzoyl)amino]-3-hydroxybenzamide
CID 59089683
N-(5-chloro-2-pyridinyl)-1-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 55816065
N-(5-chloro-2-pyridinyl)-2-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]carbamoylamino]benzamide;hydrochloride
CID 157245051

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-hydroxyphenyl]-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-hydroxyphenyl]-1-propan-2-ylpiperidine-4-carboxamide (CID 10182437) is N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-hydroxyphenyl]-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-hydroxyphenyl]-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-hydroxyphenyl]-1-propan-2-ylpiperidine-4-carboxamide is CC(C)N1CCC(C(=O)Nc2c(O)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1.
What is the InChIKey of N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-hydroxyphenyl]-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is CSCHFAMAQJODMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N4O3/c1-12(2)27-7-5-13(6-8-27)20(29)26-19-16(9-15(23)10-17(19)28)21(30)25-18-4-3-14(22)11-24-18/h3-4,9-13,28H,5-8H2,1-2H3,(H,26,29)(H,24,25,30).
What are the key properties of N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-hydroxyphenyl]-1-propan-2-ylpiperidine-4-carboxamide?
N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-hydroxyphenyl]-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 451.35 g/mol, XLogP of 4.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-hydroxyphenyl]-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 10182437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).