N-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-3,5-dichloropyridine-2-carboxamide

C18H15Cl2N5O2 — CID 57385115

IUPACN-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-3,5-dichloropyridine-2-carboxamide
SMILESCC1=NC2(CCOc3ccc(NC(=O)c4ncc(Cl)cc4Cl)cc32)N=C1N
InChIInChI=1S/C18H15Cl2N5O2/c1-9-16(21)25-18(24-9)4-5-27-14-3-2-11(7-12(14)18)23-17(26)15-13(20)6-10(19)8-22-15/h2-3,6-8H,4-5H2,1H3,(H2,21,25)(H,23,26)
InChIKeyBRXHNDFMYDDAFF-UHFFFAOYSA-N
MW404.26 g/mol
LogP3.41
Rot. Bonds2

About N-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-3,5-dichloropyridine-2-carboxamide

N-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-3,5-dichloropyridine-2-carboxamide (PubChem CID 57385115) has the molecular formula C18H15Cl2N5O2 and a molecular weight of 404.26 g/mol. Its IUPAC name is N-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-3,5-dichloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-3,5-dichloropyridine-2-carboxamide
PubChem CID57385115
Molecular FormulaC18H15Cl2N5O2
Molecular Weight404.26 g/mol
Exact Mass403.06
IUPAC NameN-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-3,5-dichloropyridine-2-carboxamide
SMILESCC1=NC2(CCOc3ccc(NC(=O)c4ncc(Cl)cc4Cl)cc32)N=C1N
InChIInChI=1S/C18H15Cl2N5O2/c1-9-16(21)25-18(24-9)4-5-27-14-3-2-11(7-12(14)18)23-17(26)15-13(20)6-10(19)8-22-15/h2-3,6-8H,4-5H2,1H3,(H2,21,25)(H,23,26)
InChIKeyBRXHNDFMYDDAFF-UHFFFAOYSA-N
XLogP3.41
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.26
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4S)-2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
CID 137348437
N-[2-amino-7'-(3,6-dihydro-2H-pyran-5-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2'-yl]-5-chloropyridine-2-carboxamide
CID 127044896
N-[(4S)-2-amino-3'-(oxan-4-yl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
CID 145991785
N-[3-(4-amino-2-methyl-1,3-benzoxazin-2-yl)-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 73353578
N-[(4aR,11bR)-2-amino-3,3,11b-trimethyl-4,4-dioxo-5,6-dihydro-4aH-[1]benzoxepino[4,5-b][1,4]thiazin-10-yl]-5-chloro-3-methylpyridine-2-carboxamide
CID 90308598
N-[(4S)-2-amino-2',2'-dimethyldispiro[1,3-oxazole-4,4'-chromene-3',3''-oxetan]-6'-yl]-5-chloropyrid ine-2-carboxamide
CID 72202470
CID 90056502
CID 90056502
N-[(4S)-2-amino-3'-cyclopropylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
CID 145980299
N-[(4S)-2-amino-3'-methylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
CID 145986616
N-[(4S)-2-amino-3'-chlorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
CID 145988728
N-[(4S)-2-amino-3'-methoxyspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
CID 145990916
N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2-carboxamide
CID 16319429

Frequently Asked Questions

What is the IUPAC name of N-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-3,5-dichloropyridine-2-carboxamide?
The IUPAC name of N-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-3,5-dichloropyridine-2-carboxamide (CID 57385115) is N-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-3,5-dichloropyridine-2-carboxamide.
What is the SMILES notation for N-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-3,5-dichloropyridine-2-carboxamide?
The canonical SMILES for N-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-3,5-dichloropyridine-2-carboxamide is CC1=NC2(CCOc3ccc(NC(=O)c4ncc(Cl)cc4Cl)cc32)N=C1N.
What is the InChIKey of N-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-3,5-dichloropyridine-2-carboxamide?
The InChIKey is BRXHNDFMYDDAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N5O2/c1-9-16(21)25-18(24-9)4-5-27-14-3-2-11(7-12(14)18)23-17(26)15-13(20)6-10(19)8-22-15/h2-3,6-8H,4-5H2,1H3,(H2,21,25)(H,23,26).
What are the key properties of N-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-3,5-dichloropyridine-2-carboxamide?
N-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-3,5-dichloropyridine-2-carboxamide has a molecular weight of 404.26 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-3,5-dichloropyridine-2-carboxamide is sourced from PubChem (CID 57385115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).