3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-4-ethyl-5-(3-formamidopiperidin-1-yl)pyridine-2-carboxamide

C30H42N6O2 — CID 123711559

IUPAC3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-4-ethyl-5-(3-formamidopiperidin-1-yl)pyridine-2-carboxamide
SMILESCCc1c(N2CCCC(NC=O)C2)cnc(C(N)=O)c1Nc1ccc(C2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C30H42N6O2/c1-2-26-27(36-15-5-6-24(19-36)33-20-37)18-32-29(30(31)38)28(26)34-23-11-9-21(10-12-23)22-13-16-35(17-14-22)25-7-3-4-8-25/h9-12,18,20,22,24-25,34H,2-8,13-17,19H2,1H3,(H2,31,38)(H,33,37)
InChIKeyADYMSXJUWFEVSF-UHFFFAOYSA-N
MW518.71 g/mol
LogP4.32
Rot. Bonds9

About 3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-4-ethyl-5-(3-formamidopiperidin-1-yl)pyridine-2-carboxamide

3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-4-ethyl-5-(3-formamidopiperidin-1-yl)pyridine-2-carboxamide (PubChem CID 123711559) has the molecular formula C30H42N6O2 and a molecular weight of 518.71 g/mol. Its IUPAC name is 3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-4-ethyl-5-(3-formamidopiperidin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-4-ethyl-5-(3-formamidopiperidin-1-yl)pyridine-2-carboxamide
PubChem CID123711559
Molecular FormulaC30H42N6O2
Molecular Weight518.71 g/mol
Exact Mass518.34
IUPAC Name3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-4-ethyl-5-(3-formamidopiperidin-1-yl)pyridine-2-carboxamide
SMILESCCc1c(N2CCCC(NC=O)C2)cnc(C(N)=O)c1Nc1ccc(C2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C30H42N6O2/c1-2-26-27(36-15-5-6-24(19-36)33-20-37)18-32-29(30(31)38)28(26)34-23-11-9-21(10-12-23)22-13-16-35(17-14-22)25-7-3-4-8-25/h9-12,18,20,22,24-25,34H,2-8,13-17,19H2,1H3,(H2,31,38)(H,33,37)
InChIKeyADYMSXJUWFEVSF-UHFFFAOYSA-N
XLogP4.32
TPSA103.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.71
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[3-(propanoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118115244
3-[4-(1-cyclobutylpiperidin-4-yl)anilino]-5-[3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118114897
3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(3R)-3-(dimethylcarbamoylamino)azepan-1-yl]pyrazine-2-carboxamide
CID 118114936
5-[(3R)-3-aminopiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;5-[(3R)-3-(cyclohexylcarbamoylamino)piperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
CID 157187349
5-[(3R)-3-(cyclohexanecarbonylamino)piperidin-1-yl]-3-[4-(1-cyclopropylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
CID 129156598
3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(3R)-3-(dimethylsulfamoylmethyl)piperidin-1-yl]pyrazine-2-carboxamide
CID 159998183
3-[4-(1-cyclobutylpiperidin-4-yl)anilino]-5-[(3R)-3-(3-cyclopropyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
CID 118114448
3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(3R)-3-[(5-fluoropyridine-3-carbonyl)amino]piperidin-1-yl]pyrazine-2-carboxamide
CID 118114674
3-[4-(1-cyclopropylpiperidin-4-yl)anilino]-5-[(3R)-3-[(4-phenylphenyl)carbamoyl]piperidin-1-yl]pyrazine-2-carboxamide
CID 140731353
3-[4-(1-cyclopropylpiperidin-4-yl)anilino]-5-[3-(naphthalene-2-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118115364
N-[(3R)-1-[6-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazin-2-yl]piperidin-3-yl]ethanesulfonamide
CID 152707506
5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(2R,3S)-2-methyl-3-(2-oxobut-3-enyl)piperidin-1-yl]pyrazine-2-carboxamide
CID 158127702

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-4-ethyl-5-(3-formamidopiperidin-1-yl)pyridine-2-carboxamide?
The IUPAC name of 3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-4-ethyl-5-(3-formamidopiperidin-1-yl)pyridine-2-carboxamide (CID 123711559) is 3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-4-ethyl-5-(3-formamidopiperidin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-4-ethyl-5-(3-formamidopiperidin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-4-ethyl-5-(3-formamidopiperidin-1-yl)pyridine-2-carboxamide is CCc1c(N2CCCC(NC=O)C2)cnc(C(N)=O)c1Nc1ccc(C2CCN(C3CCCC3)CC2)cc1.
What is the InChIKey of 3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-4-ethyl-5-(3-formamidopiperidin-1-yl)pyridine-2-carboxamide?
The InChIKey is ADYMSXJUWFEVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N6O2/c1-2-26-27(36-15-5-6-24(19-36)33-20-37)18-32-29(30(31)38)28(26)34-23-11-9-21(10-12-23)22-13-16-35(17-14-22)25-7-3-4-8-25/h9-12,18,20,22,24-25,34H,2-8,13-17,19H2,1H3,(H2,31,38)(H,33,37).
What are the key properties of 3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-4-ethyl-5-(3-formamidopiperidin-1-yl)pyridine-2-carboxamide?
3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-4-ethyl-5-(3-formamidopiperidin-1-yl)pyridine-2-carboxamide has a molecular weight of 518.71 g/mol, XLogP of 4.32, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-4-ethyl-5-(3-formamidopiperidin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 123711559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).