N-(cyclopropylmethyl)-N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]furan-2-carboxamide

C20H26N4O2 — CID 24732101

IUPACN-(cyclopropylmethyl)-N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]furan-2-carboxamide
SMILESCc1cc(C)nc(N2CCC(N(CC3CC3)C(=O)c3ccco3)CC2)n1
InChIInChI=1S/C20H26N4O2/c1-14-12-15(2)22-20(21-14)23-9-7-17(8-10-23)24(13-16-5-6-16)19(25)18-4-3-11-26-18/h3-4,11-12,16-17H,5-10,13H2,1-2H3
InChIKeyIJQFNVRJWDPDPV-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.21
Rot. Bonds5

About N-(cyclopropylmethyl)-N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]furan-2-carboxamide

N-(cyclopropylmethyl)-N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 24732101) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]furan-2-carboxamide
PubChem CID24732101
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-(cyclopropylmethyl)-N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]furan-2-carboxamide
SMILESCc1cc(C)nc(N2CCC(N(CC3CC3)C(=O)c3ccco3)CC2)n1
InChIInChI=1S/C20H26N4O2/c1-14-12-15(2)22-20(21-14)23-9-7-17(8-10-23)24(13-16-5-6-16)19(25)18-4-3-11-26-18/h3-4,11-12,16-17H,5-10,13H2,1-2H3
InChIKeyIJQFNVRJWDPDPV-UHFFFAOYSA-N
XLogP3.21
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]furan-2-carboxamide (CID 24732101) is N-(cyclopropylmethyl)-N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]furan-2-carboxamide is Cc1cc(C)nc(N2CCC(N(CC3CC3)C(=O)c3ccco3)CC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is IJQFNVRJWDPDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-12-15(2)22-20(21-14)23-9-7-17(8-10-23)24(13-16-5-6-16)19(25)18-4-3-11-26-18/h3-4,11-12,16-17H,5-10,13H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]furan-2-carboxamide?
N-(cyclopropylmethyl)-N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]furan-2-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 24732101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).