N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-5-(2-methylpyrazol-3-yl)naphthalene-1-carboxamide

C22H21N3O3 — CID 172666664

IUPACN-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-5-(2-methylpyrazol-3-yl)naphthalene-1-carboxamide
SMILESCn1nccc1-c1cccc2c(C(=O)N(CCO)Cc3ccco3)cccc12
InChIInChI=1S/C22H21N3O3/c1-24-21(10-11-23-24)19-8-2-7-18-17(19)6-3-9-20(18)22(27)25(12-13-26)15-16-5-4-14-28-16/h2-11,14,26H,12-13,15H2,1H3
InChIKeyMXXHYCOYEBDGJC-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.47
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-5-(2-methylpyrazol-3-yl)naphthalene-1-carboxamide

N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-5-(2-methylpyrazol-3-yl)naphthalene-1-carboxamide (PubChem CID 172666664) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-5-(2-methylpyrazol-3-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-5-(2-methylpyrazol-3-yl)naphthalene-1-carboxamide
PubChem CID172666664
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-5-(2-methylpyrazol-3-yl)naphthalene-1-carboxamide
SMILESCn1nccc1-c1cccc2c(C(=O)N(CCO)Cc3ccco3)cccc12
InChIInChI=1S/C22H21N3O3/c1-24-21(10-11-23-24)19-8-2-7-18-17(19)6-3-9-20(18)22(27)25(12-13-26)15-16-5-4-14-28-16/h2-11,14,26H,12-13,15H2,1H3
InChIKeyMXXHYCOYEBDGJC-UHFFFAOYSA-N
XLogP3.47
TPSA71.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 91952505
2-chloro-N,N-bis(furan-2-ylmethyl)furan-3-carboxamide
CID 106686174
[3-[[furan-2-ylmethyl(naphthalene-1-carbonyl)amino]methyl]phenyl] methanesulfonate
CID 42775438
3-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-nitrobenzamide
CID 79832071
N-(2-hydroxyethyl)-1-methyl-N-(1,3-thiazol-2-ylmethyl)indole-4-carboxamide
CID 77085780
N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]furan-3-carboxamide
CID 42779751
N-(furan-2-ylmethyl)-5,6-dimethyl-N-(2-morpholin-4-ylethyl)-2-oxo-1H-pyridine-3-carboxamide
CID 70719747
N-(furan-2-ylmethyl)-3-(4-methylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 87045069
(2S)-2-[[furan-2-ylmethyl(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide
CID 125443269
N,N-bis(furan-2-ylmethyl)-2-propoxybenzamide
CID 35526728
2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide
CID 91958228
N-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 42782300

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-5-(2-methylpyrazol-3-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-5-(2-methylpyrazol-3-yl)naphthalene-1-carboxamide (CID 172666664) is N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-5-(2-methylpyrazol-3-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-5-(2-methylpyrazol-3-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-5-(2-methylpyrazol-3-yl)naphthalene-1-carboxamide is Cn1nccc1-c1cccc2c(C(=O)N(CCO)Cc3ccco3)cccc12.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-5-(2-methylpyrazol-3-yl)naphthalene-1-carboxamide?
The InChIKey is MXXHYCOYEBDGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-24-21(10-11-23-24)19-8-2-7-18-17(19)6-3-9-20(18)22(27)25(12-13-26)15-16-5-4-14-28-16/h2-11,14,26H,12-13,15H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-5-(2-methylpyrazol-3-yl)naphthalene-1-carboxamide?
N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-5-(2-methylpyrazol-3-yl)naphthalene-1-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-5-(2-methylpyrazol-3-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 172666664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).