N-[2-(furan-2-yl)ethyl]-4-(pyrimidin-2-ylamino)benzamide

C17H16N4O2 — CID 71708375

IUPACN-[2-(furan-2-yl)ethyl]-4-(pyrimidin-2-ylamino)benzamide
SMILESO=C(NCCc1ccco1)c1ccc(Nc2ncccn2)cc1
InChIInChI=1S/C17H16N4O2/c22-16(18-11-8-15-3-1-12-23-15)13-4-6-14(7-5-13)21-17-19-9-2-10-20-17/h1-7,9-10,12H,8,11H2,(H,18,22)(H,19,20,21)
InChIKeyQYFWIOOPWKKIFD-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.79
Rot. Bonds6

About N-[2-(furan-2-yl)ethyl]-4-(pyrimidin-2-ylamino)benzamide

N-[2-(furan-2-yl)ethyl]-4-(pyrimidin-2-ylamino)benzamide (PubChem CID 71708375) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-4-(pyrimidin-2-ylamino)benzamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-4-(pyrimidin-2-ylamino)benzamide
PubChem CID71708375
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[2-(furan-2-yl)ethyl]-4-(pyrimidin-2-ylamino)benzamide
SMILESO=C(NCCc1ccco1)c1ccc(Nc2ncccn2)cc1
InChIInChI=1S/C17H16N4O2/c22-16(18-11-8-15-3-1-12-23-15)13-4-6-14(7-5-13)21-17-19-9-2-10-20-17/h1-7,9-10,12H,8,11H2,(H,18,22)(H,19,20,21)
InChIKeyQYFWIOOPWKKIFD-UHFFFAOYSA-N
XLogP2.79
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 5305680
4-(pyrimidin-2-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 71709739
N-[2-(furan-2-yl)ethyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 74233042
N-[2-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 110745469
2-(4-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109254991
2-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 103753929
N-[3-(furan-2-yl)propyl]quinoxaline-6-carboxamide
CID 74240216
4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(furan-2-ylmethyl)benzamide
CID 58716628
N-[4-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide
CID 46327584
N-[2-(furan-2-yl)ethyl]-5-(methylamino)pyridine-2-carboxamide
CID 113436120
N-[2-(furan-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 18126076
N-(pyridin-4-ylmethyl)-4-(pyrimidin-2-ylamino)benzamide
CID 71701880

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-4-(pyrimidin-2-ylamino)benzamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-4-(pyrimidin-2-ylamino)benzamide (CID 71708375) is N-[2-(furan-2-yl)ethyl]-4-(pyrimidin-2-ylamino)benzamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-4-(pyrimidin-2-ylamino)benzamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-4-(pyrimidin-2-ylamino)benzamide is O=C(NCCc1ccco1)c1ccc(Nc2ncccn2)cc1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-4-(pyrimidin-2-ylamino)benzamide?
The InChIKey is QYFWIOOPWKKIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-16(18-11-8-15-3-1-12-23-15)13-4-6-14(7-5-13)21-17-19-9-2-10-20-17/h1-7,9-10,12H,8,11H2,(H,18,22)(H,19,20,21).
What are the key properties of N-[2-(furan-2-yl)ethyl]-4-(pyrimidin-2-ylamino)benzamide?
N-[2-(furan-2-yl)ethyl]-4-(pyrimidin-2-ylamino)benzamide has a molecular weight of 308.34 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-4-(pyrimidin-2-ylamino)benzamide is sourced from PubChem (CID 71708375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).