N-(2-chloropyrimidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide

C14H12ClN3O2 — CID 116798426

IUPACN-(2-chloropyrimidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccnc(Cl)n1)C1COc2ccccc2C1
InChIInChI=1S/C14H12ClN3O2/c15-14-16-6-5-12(18-14)17-13(19)10-7-9-3-1-2-4-11(9)20-8-10/h1-6,10H,7-8H2,(H,16,17,18,19)
InChIKeySOJQFIVCLQWDSA-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.32
Rot. Bonds2

About N-(2-chloropyrimidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide

N-(2-chloropyrimidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 116798426) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID116798426
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC NameN-(2-chloropyrimidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccnc(Cl)n1)C1COc2ccccc2C1
InChIInChI=1S/C14H12ClN3O2/c15-14-16-6-5-12(18-14)17-13(19)10-7-9-3-1-2-4-11(9)20-8-10/h1-6,10H,7-8H2,(H,16,17,18,19)
InChIKeySOJQFIVCLQWDSA-UHFFFAOYSA-N
XLogP2.32
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-pyridinyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 115627234
N-(2-chloropyrimidin-4-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 116798436
N-(4,6-dimethyl-2-pyridinyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22105811
N-(2-chloropyrimidin-4-yl)-4-methylcyclohexane-1-carboxamide
CID 116798469
N-(2-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 81028513
N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 16648974
(3S)-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 40840512
N-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578129
N-(2-amino-5-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 63563206
N-(3-amino-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 62057632
N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578098
N-(3,5-dibromopyrazin-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 103756350

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 116798426) is N-(2-chloropyrimidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide is O=C(Nc1ccnc(Cl)n1)C1COc2ccccc2C1.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is SOJQFIVCLQWDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c15-14-16-6-5-12(18-14)17-13(19)10-7-9-3-1-2-4-11(9)20-8-10/h1-6,10H,7-8H2,(H,16,17,18,19).
What are the key properties of N-(2-chloropyrimidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
N-(2-chloropyrimidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 289.72 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 116798426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).