N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide

C19H22N2O3 — CID 111784596

IUPACN-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NCC(CO)Cc1ccccn1)C1COc2ccccc2C1
InChIInChI=1S/C19H22N2O3/c22-12-14(9-17-6-3-4-8-20-17)11-21-19(23)16-10-15-5-1-2-7-18(15)24-13-16/h1-8,14,16,22H,9-13H2,(H,21,23)
InChIKeyKOKOUAORWSORJY-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.60
Rot. Bonds6

About N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide

N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 111784596) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID111784596
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NCC(CO)Cc1ccccn1)C1COc2ccccc2C1
InChIInChI=1S/C19H22N2O3/c22-12-14(9-17-6-3-4-8-20-17)11-21-19(23)16-10-15-5-1-2-7-18(15)24-13-16/h1-8,14,16,22H,9-13H2,(H,21,23)
InChIKeyKOKOUAORWSORJY-UHFFFAOYSA-N
XLogP1.60
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 111784693
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 109478271
N-(2-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 134044830
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
4-(3,4-dihydro-2H-chromene-3-carbonylamino)-3-methylbutanoic acid
CID 81064741
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 111451003
N-(2-bromo-3-ethylpentyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 106288162
N-[(2R)-2-(ethylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120651056
N-(4-hydroxybutyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 106843420
(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 175826677
N-(2-bromo-3-methoxypropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 113274555

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 111784596) is N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(NCC(CO)Cc1ccccn1)C1COc2ccccc2C1.
What is the InChIKey of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is KOKOUAORWSORJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-12-14(9-17-6-3-4-8-20-17)11-21-19(23)16-10-15-5-1-2-7-18(15)24-13-16/h1-8,14,16,22H,9-13H2,(H,21,23).
What are the key properties of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 111784596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).