1-(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

C22H27ClN4O3 — CID 55924033

IUPAC1-(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESCCCc1c(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C22H27ClN4O3/c1-4-5-17-19(14(3)28)13(2)25-20(17)22(30)27-10-8-15(9-11-27)21(29)26-18-7-6-16(23)12-24-18/h6-7,12,15,25H,4-5,8-11H2,1-3H3,(H,24,26,29)
InChIKeyPWJKSNDQHFRFTP-UHFFFAOYSA-N
MW430.94 g/mol
LogP4.02
Rot. Bonds6

About 1-(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

1-(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55924033) has the molecular formula C22H27ClN4O3 and a molecular weight of 430.94 g/mol. Its IUPAC name is 1-(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55924033
Molecular FormulaC22H27ClN4O3
Molecular Weight430.94 g/mol
Exact Mass430.18
IUPAC Name1-(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESCCCc1c(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C22H27ClN4O3/c1-4-5-17-19(14(3)28)13(2)25-20(17)22(30)27-10-8-15(9-11-27)21(29)26-18-7-6-16(23)12-24-18/h6-7,12,15,25H,4-5,8-11H2,1-3H3,(H,24,26,29)
InChIKeyPWJKSNDQHFRFTP-UHFFFAOYSA-N
XLogP4.02
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86882170
1-[5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone
CID 55828446
N-(5-chloro-2-pyridinyl)-1-(1-ethyl-5-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 166248157
1-(5-amino-2-methylbenzoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 120643954
1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119856586
1-(4-chlorobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 24980605
N-(5-chloro-2-pyridinyl)-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 166251824
1-(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)-N-(2-aminoethyl)piperidine-3-carboxamide
CID 119481082
1-[5-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone
CID 55830279
1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55813120
1-[5-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone
CID 119637574
N-(5-chloro-2-pyridinyl)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidine-4-carboxamide
CID 55812719

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (CID 55924033) is 1-(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is CCCc1c(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)[nH]c(C)c1C(C)=O.
What is the InChIKey of 1-(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is PWJKSNDQHFRFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O3/c1-4-5-17-19(14(3)28)13(2)25-20(17)22(30)27-10-8-15(9-11-27)21(29)26-18-7-6-16(23)12-24-18/h6-7,12,15,25H,4-5,8-11H2,1-3H3,(H,24,26,29).
What are the key properties of 1-(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
1-(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 430.94 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55924033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).