N-(3-chlorophenyl)-6-(2,6-dioxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide

C20H22ClN3O3 — CID 127729044

IUPACN-(3-chlorophenyl)-6-(2,6-dioxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(NC2CCOC3(CCOC3)C2)nc1
InChIInChI=1S/C20H22ClN3O3/c21-15-2-1-3-16(10-15)24-19(25)14-4-5-18(22-12-14)23-17-6-8-27-20(11-17)7-9-26-13-20/h1-5,10,12,17H,6-9,11,13H2,(H,22,23)(H,24,25)
InChIKeyHDFXFMMSYIXRTR-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.74
Rot. Bonds4

About N-(3-chlorophenyl)-6-(2,6-dioxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide

N-(3-chlorophenyl)-6-(2,6-dioxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide (PubChem CID 127729044) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-(2,6-dioxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-(2,6-dioxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide
PubChem CID127729044
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC NameN-(3-chlorophenyl)-6-(2,6-dioxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(NC2CCOC3(CCOC3)C2)nc1
InChIInChI=1S/C20H22ClN3O3/c21-15-2-1-3-16(10-15)24-19(25)14-4-5-18(22-12-14)23-17-6-8-27-20(11-17)7-9-26-13-20/h1-5,10,12,17H,6-9,11,13H2,(H,22,23)(H,24,25)
InChIKeyHDFXFMMSYIXRTR-UHFFFAOYSA-N
XLogP3.74
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-3-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]urea
CID 96579890
N-(3-chlorophenyl)-6-[(3-methoxycyclohexyl)amino]pyridine-3-carboxamide
CID 133399410
6-[(4-carbamoyloxan-4-yl)methylamino]-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 133430584
6-(4-acetylanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109163447
2-N,6-N-bis(2,6-dioxaspiro[4.5]decan-9-yl)pyridine-2,6-dicarboxamide
CID 166196304
N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
CID 109159992
N-(3-chlorophenyl)-2-(cycloheptylamino)pyrimidine-5-carboxamide
CID 109263215
N-(3-bromophenyl)-6-(cyclopentylamino)pyridine-3-carboxamide
CID 109152213
N-(3-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156138
N-(3-chlorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109163462
N-(3-chlorophenyl)-6-[2-(3-methylmorpholin-4-yl)propylamino]pyridine-3-carboxamide
CID 133302708
N-(3-chlorophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156937

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-(2,6-dioxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-6-(2,6-dioxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide (CID 127729044) is N-(3-chlorophenyl)-6-(2,6-dioxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-6-(2,6-dioxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-6-(2,6-dioxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide is O=C(Nc1cccc(Cl)c1)c1ccc(NC2CCOC3(CCOC3)C2)nc1.
What is the InChIKey of N-(3-chlorophenyl)-6-(2,6-dioxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide?
The InChIKey is HDFXFMMSYIXRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c21-15-2-1-3-16(10-15)24-19(25)14-4-5-18(22-12-14)23-17-6-8-27-20(11-17)7-9-26-13-20/h1-5,10,12,17H,6-9,11,13H2,(H,22,23)(H,24,25).
What are the key properties of N-(3-chlorophenyl)-6-(2,6-dioxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide?
N-(3-chlorophenyl)-6-(2,6-dioxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-(2,6-dioxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 127729044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).