N-tert-butyl-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide

C14H18N4O2 — CID 109279517

IUPACN-tert-butyl-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cnc(NCc2ccco2)cn1
InChIInChI=1S/C14H18N4O2/c1-14(2,3)18-13(19)11-8-17-12(9-15-11)16-7-10-5-4-6-20-10/h4-6,8-9H,7H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyPTIGYUVYJKVRAT-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.21
Rot. Bonds4

About N-tert-butyl-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide

N-tert-butyl-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide (PubChem CID 109279517) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-tert-butyl-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
PubChem CID109279517
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-tert-butyl-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cnc(NCc2ccco2)cn1
InChIInChI=1S/C14H18N4O2/c1-14(2,3)18-13(19)11-8-17-12(9-15-11)16-7-10-5-4-6-20-10/h4-6,8-9H,7H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyPTIGYUVYJKVRAT-UHFFFAOYSA-N
XLogP2.21
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(furan-2-ylmethylamino)-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 109279520
N-cyclopentyl-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109273898
5-(furan-2-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109279550
N-[(4-chlorophenyl)methyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109279476
N-[(4-fluorophenyl)methyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109279474
5-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109279581
5-(furan-2-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
CID 109279633
5-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109279490
5-(furan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109279576
methyl 3-[[5-(furan-2-ylmethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109279589
azepan-1-yl-[5-(furan-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109279529
5-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 109279384

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-tert-butyl-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide (CID 109279517) is N-tert-butyl-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide is CC(C)(C)NC(=O)c1cnc(NCc2ccco2)cn1.
What is the InChIKey of N-tert-butyl-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide?
The InChIKey is PTIGYUVYJKVRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-14(2,3)18-13(19)11-8-17-12(9-15-11)16-7-10-5-4-6-20-10/h4-6,8-9H,7H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of N-tert-butyl-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide?
N-tert-butyl-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109279517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).