(8-pyridin-4-yl-3,4-dihydro-2H-chromen-4-yl)methylcarbamic acid

C16H16N2O3 — CID 174232180

IUPAC(8-pyridin-4-yl-3,4-dihydro-2H-chromen-4-yl)methylcarbamic acid
SMILESO=C(O)NCC1CCOc2c(-c3ccncc3)cccc21
InChIInChI=1S/C16H16N2O3/c19-16(20)18-10-12-6-9-21-15-13(2-1-3-14(12)15)11-4-7-17-8-5-11/h1-5,7-8,12,18H,6,9-10H2,(H,19,20)
InChIKeyFEDVZSMPCFDIIZ-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.88
Rot. Bonds3

About (8-pyridin-4-yl-3,4-dihydro-2H-chromen-4-yl)methylcarbamic acid

(8-pyridin-4-yl-3,4-dihydro-2H-chromen-4-yl)methylcarbamic acid (PubChem CID 174232180) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is (8-pyridin-4-yl-3,4-dihydro-2H-chromen-4-yl)methylcarbamic acid.

Molecular Properties

Compound Name(8-pyridin-4-yl-3,4-dihydro-2H-chromen-4-yl)methylcarbamic acid
PubChem CID174232180
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name(8-pyridin-4-yl-3,4-dihydro-2H-chromen-4-yl)methylcarbamic acid
SMILESO=C(O)NCC1CCOc2c(-c3ccncc3)cccc21
InChIInChI=1S/C16H16N2O3/c19-16(20)18-10-12-6-9-21-15-13(2-1-3-14(12)15)11-4-7-17-8-5-11/h1-5,7-8,12,18H,6,9-10H2,(H,19,20)
InChIKeyFEDVZSMPCFDIIZ-UHFFFAOYSA-N
XLogP2.88
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(4R)-8-[2-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-2H-chromen-4-yl]methylcarbamic acid
CID 174232188
N-methyl-1-[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 165409301
tert-butyl N-[[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate
CID 165409299
(6-pyridin-4-yl-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methylcarbamic acid
CID 137460338
[(4S)-8-phenyl-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 165409099
1-[8-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl]-N-methylmethanamine
CID 165409290
7-pyridin-4-yl-2,3,3a,4,5,10b-hexahydro-1H-[1]benzoxepino[4,5-c]pyrrole
CID 67167529
tert-butyl N-[[(4R)-8-(4-cyanophenyl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate
CID 175998709
4-[(4R)-4-(methylaminomethyl)-3,4-dihydro-2H-chromen-8-yl]benzonitrile
CID 171496483
1-[8-(3-methoxy-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]-N-methylmethanamine
CID 174237193
[(4S)-8-(1,3-oxazol-5-yl)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 171470395
3-[(8-fluoro-3,4-dihydro-2H-chromen-4-yl)methylamino]pyridine-4-carboxylic acid
CID 77105137

Frequently Asked Questions

What is the IUPAC name of (8-pyridin-4-yl-3,4-dihydro-2H-chromen-4-yl)methylcarbamic acid?
The IUPAC name of (8-pyridin-4-yl-3,4-dihydro-2H-chromen-4-yl)methylcarbamic acid (CID 174232180) is (8-pyridin-4-yl-3,4-dihydro-2H-chromen-4-yl)methylcarbamic acid.
What is the SMILES notation for (8-pyridin-4-yl-3,4-dihydro-2H-chromen-4-yl)methylcarbamic acid?
The canonical SMILES for (8-pyridin-4-yl-3,4-dihydro-2H-chromen-4-yl)methylcarbamic acid is O=C(O)NCC1CCOc2c(-c3ccncc3)cccc21.
What is the InChIKey of (8-pyridin-4-yl-3,4-dihydro-2H-chromen-4-yl)methylcarbamic acid?
The InChIKey is FEDVZSMPCFDIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-16(20)18-10-12-6-9-21-15-13(2-1-3-14(12)15)11-4-7-17-8-5-11/h1-5,7-8,12,18H,6,9-10H2,(H,19,20).
What are the key properties of (8-pyridin-4-yl-3,4-dihydro-2H-chromen-4-yl)methylcarbamic acid?
(8-pyridin-4-yl-3,4-dihydro-2H-chromen-4-yl)methylcarbamic acid has a molecular weight of 284.31 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-pyridin-4-yl-3,4-dihydro-2H-chromen-4-yl)methylcarbamic acid is sourced from PubChem (CID 174232180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).