N-(furan-2-ylmethyl)-1-[6-(4-methylanilino)pyrimidin-4-yl]piperidine-4-carboxamide

C22H25N5O2 — CID 53170553

IUPACN-(furan-2-ylmethyl)-1-[6-(4-methylanilino)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1ccc(Nc2cc(N3CCC(C(=O)NCc4ccco4)CC3)ncn2)cc1
InChIInChI=1S/C22H25N5O2/c1-16-4-6-18(7-5-16)26-20-13-21(25-15-24-20)27-10-8-17(9-11-27)22(28)23-14-19-3-2-12-29-19/h2-7,12-13,15,17H,8-11,14H2,1H3,(H,23,28)(H,24,25,26)
InChIKeyRCPGBVVQQRWAGS-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.65
Rot. Bonds6

About N-(furan-2-ylmethyl)-1-[6-(4-methylanilino)pyrimidin-4-yl]piperidine-4-carboxamide

N-(furan-2-ylmethyl)-1-[6-(4-methylanilino)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 53170553) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[6-(4-methylanilino)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[6-(4-methylanilino)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID53170553
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-(furan-2-ylmethyl)-1-[6-(4-methylanilino)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1ccc(Nc2cc(N3CCC(C(=O)NCc4ccco4)CC3)ncn2)cc1
InChIInChI=1S/C22H25N5O2/c1-16-4-6-18(7-5-16)26-20-13-21(25-15-24-20)27-10-8-17(9-11-27)22(28)23-14-19-3-2-12-29-19/h2-7,12-13,15,17H,8-11,14H2,1H3,(H,23,28)(H,24,25,26)
InChIKeyRCPGBVVQQRWAGS-UHFFFAOYSA-N
XLogP3.65
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(4-methylanilino)pyrimidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 95101963
N-(furan-2-ylmethyl)-1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 46326781
[1-[6-(4-methylanilino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 53170560
4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109147749
N-(furan-2-ylmethyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29133390
N-(furan-2-ylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
CID 53172035
1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 20943232
1-[6-(3,4-dimethylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192759
N-(furan-2-ylmethyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 119100941
N-(furan-2-ylmethyl)-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
CID 20906863
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 46381273
N-(furan-2-ylmethyl)-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109346360

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[6-(4-methylanilino)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-[6-(4-methylanilino)pyrimidin-4-yl]piperidine-4-carboxamide (CID 53170553) is N-(furan-2-ylmethyl)-1-[6-(4-methylanilino)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[6-(4-methylanilino)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[6-(4-methylanilino)pyrimidin-4-yl]piperidine-4-carboxamide is Cc1ccc(Nc2cc(N3CCC(C(=O)NCc4ccco4)CC3)ncn2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[6-(4-methylanilino)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is RCPGBVVQQRWAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16-4-6-18(7-5-16)26-20-13-21(25-15-24-20)27-10-8-17(9-11-27)22(28)23-14-19-3-2-12-29-19/h2-7,12-13,15,17H,8-11,14H2,1H3,(H,23,28)(H,24,25,26).
What are the key properties of N-(furan-2-ylmethyl)-1-[6-(4-methylanilino)pyrimidin-4-yl]piperidine-4-carboxamide?
N-(furan-2-ylmethyl)-1-[6-(4-methylanilino)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[6-(4-methylanilino)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53170553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).