N-[1-[5-(4-methylpiperidin-1-yl)pyrimidin-4-yl]pyrazol-4-yl]furan-2-carboxamide

C18H20N6O2 — CID 53189955

IUPACN-[1-[5-(4-methylpiperidin-1-yl)pyrimidin-4-yl]pyrazol-4-yl]furan-2-carboxamide
SMILESCC1CCN(c2cncnc2-n2cc(NC(=O)c3ccco3)cn2)CC1
InChIInChI=1S/C18H20N6O2/c1-13-4-6-23(7-5-13)15-10-19-12-20-17(15)24-11-14(9-21-24)22-18(25)16-3-2-8-26-16/h2-3,8-13H,4-7H2,1H3,(H,22,25)
InChIKeyXCENQOKXKNZMRQ-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.74
Rot. Bonds4

About N-[1-[5-(4-methylpiperidin-1-yl)pyrimidin-4-yl]pyrazol-4-yl]furan-2-carboxamide

N-[1-[5-(4-methylpiperidin-1-yl)pyrimidin-4-yl]pyrazol-4-yl]furan-2-carboxamide (PubChem CID 53189955) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[1-[5-(4-methylpiperidin-1-yl)pyrimidin-4-yl]pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(4-methylpiperidin-1-yl)pyrimidin-4-yl]pyrazol-4-yl]furan-2-carboxamide
PubChem CID53189955
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC NameN-[1-[5-(4-methylpiperidin-1-yl)pyrimidin-4-yl]pyrazol-4-yl]furan-2-carboxamide
SMILESCC1CCN(c2cncnc2-n2cc(NC(=O)c3ccco3)cn2)CC1
InChIInChI=1S/C18H20N6O2/c1-13-4-6-23(7-5-13)15-10-19-12-20-17(15)24-11-14(9-21-24)22-18(25)16-3-2-8-26-16/h2-3,8-13H,4-7H2,1H3,(H,22,25)
InChIKeyXCENQOKXKNZMRQ-UHFFFAOYSA-N
XLogP2.74
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide
CID 53189946
N-[1-(5-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 53190062
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]furan-2-carboxamide
CID 97428071
N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide
CID 42850252
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)furan-2-carboxamide
CID 71789966
N-[3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 46296122
N-(furan-2-carbonyl)-4-methylpiperidine-1-carboxamide
CID 110865978
N-[4-[4-(4-methylpiperidin-1-yl)anilino]-4-oxobutyl]furan-2-carboxamide
CID 55389157
N-[3-chloro-4-(4-ethylpiperidin-1-yl)phenyl]furan-2-carboxamide
CID 122182201
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 7734234
N-[3-[4-(4-methylpiperidin-1-yl)butylcarbamoyl]phenyl]furan-2-carboxamide
CID 55847878
N-[2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide
CID 55747213

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-methylpiperidin-1-yl)pyrimidin-4-yl]pyrazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[5-(4-methylpiperidin-1-yl)pyrimidin-4-yl]pyrazol-4-yl]furan-2-carboxamide (CID 53189955) is N-[1-[5-(4-methylpiperidin-1-yl)pyrimidin-4-yl]pyrazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[5-(4-methylpiperidin-1-yl)pyrimidin-4-yl]pyrazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[5-(4-methylpiperidin-1-yl)pyrimidin-4-yl]pyrazol-4-yl]furan-2-carboxamide is CC1CCN(c2cncnc2-n2cc(NC(=O)c3ccco3)cn2)CC1.
What is the InChIKey of N-[1-[5-(4-methylpiperidin-1-yl)pyrimidin-4-yl]pyrazol-4-yl]furan-2-carboxamide?
The InChIKey is XCENQOKXKNZMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-13-4-6-23(7-5-13)15-10-19-12-20-17(15)24-11-14(9-21-24)22-18(25)16-3-2-8-26-16/h2-3,8-13H,4-7H2,1H3,(H,22,25).
What are the key properties of N-[1-[5-(4-methylpiperidin-1-yl)pyrimidin-4-yl]pyrazol-4-yl]furan-2-carboxamide?
N-[1-[5-(4-methylpiperidin-1-yl)pyrimidin-4-yl]pyrazol-4-yl]furan-2-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-methylpiperidin-1-yl)pyrimidin-4-yl]pyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 53189955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).