N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide

C20H24N4O — CID 56717920

IUPACN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide
SMILESO=C(NCC1CCN(C2Cc3ccccc3C2)CC1)c1ccncn1
InChIInChI=1S/C20H24N4O/c25-20(19-5-8-21-14-23-19)22-13-15-6-9-24(10-7-15)18-11-16-3-1-2-4-17(16)12-18/h1-5,8,14-15,18H,6-7,9-13H2,(H,22,25)
InChIKeyDBVJXUDZFFXDFQ-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.09
Rot. Bonds4

About N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide (PubChem CID 56717920) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide
PubChem CID56717920
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide
SMILESO=C(NCC1CCN(C2Cc3ccccc3C2)CC1)c1ccncn1
InChIInChI=1S/C20H24N4O/c25-20(19-5-8-21-14-23-19)22-13-15-6-9-24(10-7-15)18-11-16-3-1-2-4-17(16)12-18/h1-5,8,14-15,18H,6-7,9-13H2,(H,22,25)
InChIKeyDBVJXUDZFFXDFQ-UHFFFAOYSA-N
XLogP2.09
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide (CID 56717920) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide is O=C(NCC1CCN(C2Cc3ccccc3C2)CC1)c1ccncn1.
What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide?
The InChIKey is DBVJXUDZFFXDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c25-20(19-5-8-21-14-23-19)22-13-15-6-9-24(10-7-15)18-11-16-3-1-2-4-17(16)12-18/h1-5,8,14-15,18H,6-7,9-13H2,(H,22,25).
What are the key properties of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide?
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 56717920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).