N-(3,4-dihydro-2H-chromen-3-ylmethyl)pyrazine-2-carboxamide

C15H15N3O2 — CID 47115544

IUPACN-(3,4-dihydro-2H-chromen-3-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(NCC1COc2ccccc2C1)c1cnccn1
InChIInChI=1S/C15H15N3O2/c19-15(13-9-16-5-6-17-13)18-8-11-7-12-3-1-2-4-14(12)20-10-11/h1-6,9,11H,7-8,10H2,(H,18,19)
InChIKeyKDMDKLFXHKQEST-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.46
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-3-ylmethyl)pyrazine-2-carboxamide

N-(3,4-dihydro-2H-chromen-3-ylmethyl)pyrazine-2-carboxamide (PubChem CID 47115544) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)pyrazine-2-carboxamide
PubChem CID47115544
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(NCC1COc2ccccc2C1)c1cnccn1
InChIInChI=1S/C15H15N3O2/c19-15(13-9-16-5-6-17-13)18-8-11-7-12-3-1-2-4-14(12)20-10-11/h1-6,9,11H,7-8,10H2,(H,18,19)
InChIKeyKDMDKLFXHKQEST-UHFFFAOYSA-N
XLogP1.46
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-2-carboxamide
CID 99779688
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 97284274
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 94176071
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 35422359
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide
CID 51129710
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide
CID 72915757
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 102556008
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 97111941
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide
CID 51211932
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide
CID 40918040
N-(azetidin-3-ylmethyl)pyrazine-2-carboxamide
CID 127017038
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
CID 47117479

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)pyrazine-2-carboxamide (CID 47115544) is N-(3,4-dihydro-2H-chromen-3-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-ylmethyl)pyrazine-2-carboxamide is O=C(NCC1COc2ccccc2C1)c1cnccn1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is KDMDKLFXHKQEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-15(13-9-16-5-6-17-13)18-8-11-7-12-3-1-2-4-14(12)20-10-11/h1-6,9,11H,7-8,10H2,(H,18,19).
What are the key properties of N-(3,4-dihydro-2H-chromen-3-ylmethyl)pyrazine-2-carboxamide?
N-(3,4-dihydro-2H-chromen-3-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 47115544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).