N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]pyrimidine-5-carboxamide

C17H22N4O2 — CID 95219811

IUPACN-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]pyrimidine-5-carboxamide
SMILESO=C(NCC[C@H]1CCCN(Cc2ccco2)C1)c1cncnc1
InChIInChI=1S/C17H22N4O2/c22-17(15-9-18-13-19-10-15)20-6-5-14-3-1-7-21(11-14)12-16-4-2-8-23-16/h2,4,8-10,13-14H,1,3,5-7,11-12H2,(H,20,22)/t14-/m1/s1
InChIKeyBJAPGDCDZIISTM-CQSZACIVSA-N
MW314.39 g/mol
LogP2.10
Rot. Bonds6

About N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]pyrimidine-5-carboxamide

N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]pyrimidine-5-carboxamide (PubChem CID 95219811) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]pyrimidine-5-carboxamide
PubChem CID95219811
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]pyrimidine-5-carboxamide
SMILESO=C(NCC[C@H]1CCCN(Cc2ccco2)C1)c1cncnc1
InChIInChI=1S/C17H22N4O2/c22-17(15-9-18-13-19-10-15)20-6-5-14-3-1-7-21(11-14)12-16-4-2-8-23-16/h2,4,8-10,13-14H,1,3,5-7,11-12H2,(H,20,22)/t14-/m1/s1
InChIKeyBJAPGDCDZIISTM-CQSZACIVSA-N
XLogP2.10
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]pyrimidine-5-carboxamide (CID 95219811) is N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]pyrimidine-5-carboxamide is O=C(NCC[C@H]1CCCN(Cc2ccco2)C1)c1cncnc1.
What is the InChIKey of N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]pyrimidine-5-carboxamide?
The InChIKey is BJAPGDCDZIISTM-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O2/c22-17(15-9-18-13-19-10-15)20-6-5-14-3-1-7-21(11-14)12-16-4-2-8-23-16/h2,4,8-10,13-14H,1,3,5-7,11-12H2,(H,20,22)/t14-/m1/s1.
What are the key properties of N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]pyrimidine-5-carboxamide?
N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]pyrimidine-5-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 95219811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).