N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide

C16H21N5O2 — CID 95107873

IUPACN-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide
SMILESCN(C)c1cc(N2CCC[C@H](NC(=O)c3ccco3)C2)ncn1
InChIInChI=1S/C16H21N5O2/c1-20(2)14-9-15(18-11-17-14)21-7-3-5-12(10-21)19-16(22)13-6-4-8-23-13/h4,6,8-9,11-12H,3,5,7,10H2,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeyRDMMOKAFAFNGEN-LBPRGKRZSA-N
MW315.38 g/mol
LogP1.53
Rot. Bonds4

About N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide

N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide (PubChem CID 95107873) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide
PubChem CID95107873
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide
SMILESCN(C)c1cc(N2CCC[C@H](NC(=O)c3ccco3)C2)ncn1
InChIInChI=1S/C16H21N5O2/c1-20(2)14-9-15(18-11-17-14)21-7-3-5-12(10-21)19-16(22)13-6-4-8-23-13/h4,6,8-9,11-12H,3,5,7,10H2,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeyRDMMOKAFAFNGEN-LBPRGKRZSA-N
XLogP1.53
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-fluorobenzamide
CID 95107883
N-[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(4-fluorophenyl)acetamide
CID 95107896
N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(2-methylphenyl)acetamide
CID 95107912
6-(3-aminopiperidin-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 53185813
N-cyclooctylfuran-2-carboxamide
CID 790432
N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]furan-2-carboxamide
CID 121144564
N-[1-oxo-1-[(1-phenylpiperidin-3-yl)amino]propan-2-yl]furan-2-carboxamide
CID 136526076
N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 86966309
N-(1-methylsulfonylpyrrolidin-3-yl)furan-2-carboxamide
CID 110871255
N-[[1-(2-aminopyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 131910940
methyl 5-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]carbamoyl]furan-3-carboxylate
CID 124616870
N-(4-methylcycloheptyl)furan-2-carboxamide
CID 102795196

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide?
The IUPAC name of N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide (CID 95107873) is N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide is CN(C)c1cc(N2CCC[C@H](NC(=O)c3ccco3)C2)ncn1.
What is the InChIKey of N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide?
The InChIKey is RDMMOKAFAFNGEN-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-20(2)14-9-15(18-11-17-14)21-7-3-5-12(10-21)19-16(22)13-6-4-8-23-13/h4,6,8-9,11-12H,3,5,7,10H2,1-2H3,(H,19,22)/t12-/m0/s1.
What are the key properties of N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide?
N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 95107873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).