N-[4-[(1-pyrimidin-2-ylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide

C21H21N5O3 — CID 55705433

IUPACN-[4-[(1-pyrimidin-2-ylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(NC1CCN(c2ncccn2)CC1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H21N5O3/c27-19(24-17-8-12-26(13-9-17)21-22-10-2-11-23-21)15-4-6-16(7-5-15)25-20(28)18-3-1-14-29-18/h1-7,10-11,14,17H,8-9,12-13H2,(H,24,27)(H,25,28)
InChIKeyXXXMENXBBDXZSC-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.72
Rot. Bonds5

About N-[4-[(1-pyrimidin-2-ylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide

N-[4-[(1-pyrimidin-2-ylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55705433) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[4-[(1-pyrimidin-2-ylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(1-pyrimidin-2-ylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide
PubChem CID55705433
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC NameN-[4-[(1-pyrimidin-2-ylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(NC1CCN(c2ncccn2)CC1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H21N5O3/c27-19(24-17-8-12-26(13-9-17)21-22-10-2-11-23-21)15-4-6-16(7-5-15)25-20(28)18-3-1-14-29-18/h1-7,10-11,14,17H,8-9,12-13H2,(H,24,27)(H,25,28)
InChIKeyXXXMENXBBDXZSC-UHFFFAOYSA-N
XLogP2.72
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]furan-2-carboxamide
CID 73168320
4-(benzenesulfonamido)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 55705458
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)furan-2-carboxamide
CID 71789966
3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110712544
3-acetamido-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110741981
N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 26243989
4-furo[3,2-c]pyridin-4-yl-N-[1-[5-(methylamino)pyrimidin-2-yl]piperidin-4-yl]benzamide
CID 166901154
N-[3-[2-[4-(cyclopentylcarbamoyl)anilino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55959108
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]furan-2-carboxamide
CID 121144564
N-[1-(furan-2-carbonyl)piperidin-4-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 167859792
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 16613592

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-pyrimidin-2-ylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(1-pyrimidin-2-ylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide (CID 55705433) is N-[4-[(1-pyrimidin-2-ylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(1-pyrimidin-2-ylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(1-pyrimidin-2-ylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide is O=C(NC1CCN(c2ncccn2)CC1)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[(1-pyrimidin-2-ylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is XXXMENXBBDXZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c27-19(24-17-8-12-26(13-9-17)21-22-10-2-11-23-21)15-4-6-16(7-5-15)25-20(28)18-3-1-14-29-18/h1-7,10-11,14,17H,8-9,12-13H2,(H,24,27)(H,25,28).
What are the key properties of N-[4-[(1-pyrimidin-2-ylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide?
N-[4-[(1-pyrimidin-2-ylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-pyrimidin-2-ylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55705433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).