N-[4-[4-(2,3-dihydro-1H-inden-1-ylamino)piperidin-1-yl]phenyl]pyrazine-2-carboxamide

C25H27N5O — CID 126466841

IUPACN-[4-[4-(2,3-dihydro-1H-inden-1-ylamino)piperidin-1-yl]phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCC(NC3CCc4ccccc43)CC2)cc1)c1cnccn1
InChIInChI=1S/C25H27N5O/c31-25(24-17-26-13-14-27-24)29-19-6-8-21(9-7-19)30-15-11-20(12-16-30)28-23-10-5-18-3-1-2-4-22(18)23/h1-4,6-9,13-14,17,20,23,28H,5,10-12,15-16H2,(H,29,31)
InChIKeyCJMKCMMOPHUIBK-UHFFFAOYSA-N
MW413.53 g/mol
LogP3.97
Rot. Bonds5

About N-[4-[4-(2,3-dihydro-1H-inden-1-ylamino)piperidin-1-yl]phenyl]pyrazine-2-carboxamide

N-[4-[4-(2,3-dihydro-1H-inden-1-ylamino)piperidin-1-yl]phenyl]pyrazine-2-carboxamide (PubChem CID 126466841) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is N-[4-[4-(2,3-dihydro-1H-inden-1-ylamino)piperidin-1-yl]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2,3-dihydro-1H-inden-1-ylamino)piperidin-1-yl]phenyl]pyrazine-2-carboxamide
PubChem CID126466841
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC NameN-[4-[4-(2,3-dihydro-1H-inden-1-ylamino)piperidin-1-yl]phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCC(NC3CCc4ccccc43)CC2)cc1)c1cnccn1
InChIInChI=1S/C25H27N5O/c31-25(24-17-26-13-14-27-24)29-19-6-8-21(9-7-19)30-15-11-20(12-16-30)28-23-10-5-18-3-1-2-4-22(18)23/h1-4,6-9,13-14,17,20,23,28H,5,10-12,15-16H2,(H,29,31)
InChIKeyCJMKCMMOPHUIBK-UHFFFAOYSA-N
XLogP3.97
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-[[(1R)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]phenyl]pyrazine-2-carboxamide
CID 26359267
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CID 42480111
N-(4-aminophenyl)pyrazine-2-carboxamide
CID 16775114
N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyridine-2-carboxamide
CID 67112599
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]pyrazine-2-carboxamide
CID 110666649
N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazine-2-carboxamide
CID 110668697
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]pyrazine-2-carboxamide
CID 122299597
N-(4-sulfanylphenyl)pyrazine-2-carboxamide
CID 137223268
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 16613410
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]pyrazine-2-carboxamide
CID 1452900
N-[2-(2,3-dihydroindol-1-yl)phenyl]pyrazine-2-carboxamide
CID 38748578
N-[4-(cyclopentylsulfamoyl)phenyl]pyrazine-2-carboxamide
CID 648289

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,3-dihydro-1H-inden-1-ylamino)piperidin-1-yl]phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-[4-(2,3-dihydro-1H-inden-1-ylamino)piperidin-1-yl]phenyl]pyrazine-2-carboxamide (CID 126466841) is N-[4-[4-(2,3-dihydro-1H-inden-1-ylamino)piperidin-1-yl]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-[4-(2,3-dihydro-1H-inden-1-ylamino)piperidin-1-yl]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-[4-(2,3-dihydro-1H-inden-1-ylamino)piperidin-1-yl]phenyl]pyrazine-2-carboxamide is O=C(Nc1ccc(N2CCC(NC3CCc4ccccc43)CC2)cc1)c1cnccn1.
What is the InChIKey of N-[4-[4-(2,3-dihydro-1H-inden-1-ylamino)piperidin-1-yl]phenyl]pyrazine-2-carboxamide?
The InChIKey is CJMKCMMOPHUIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c31-25(24-17-26-13-14-27-24)29-19-6-8-21(9-7-19)30-15-11-20(12-16-30)28-23-10-5-18-3-1-2-4-22(18)23/h1-4,6-9,13-14,17,20,23,28H,5,10-12,15-16H2,(H,29,31).
What are the key properties of N-[4-[4-(2,3-dihydro-1H-inden-1-ylamino)piperidin-1-yl]phenyl]pyrazine-2-carboxamide?
N-[4-[4-(2,3-dihydro-1H-inden-1-ylamino)piperidin-1-yl]phenyl]pyrazine-2-carboxamide has a molecular weight of 413.53 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,3-dihydro-1H-inden-1-ylamino)piperidin-1-yl]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 126466841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).