6-[(4-carbamoyloxan-4-yl)methylamino]-N-(3-chlorophenyl)pyridine-3-carboxamide

C19H21ClN4O3 — CID 133430584

IUPAC6-[(4-carbamoyloxan-4-yl)methylamino]-N-(3-chlorophenyl)pyridine-3-carboxamide
SMILESNC(=O)C1(CNc2ccc(C(=O)Nc3cccc(Cl)c3)cn2)CCOCC1
InChIInChI=1S/C19H21ClN4O3/c20-14-2-1-3-15(10-14)24-17(25)13-4-5-16(22-11-13)23-12-19(18(21)26)6-8-27-9-7-19/h1-5,10-11H,6-9,12H2,(H2,21,26)(H,22,23)(H,24,25)
InChIKeyDOJGCIDVVWCHKE-UHFFFAOYSA-N
MW388.86 g/mol
LogP2.68
Rot. Bonds6

About 6-[(4-carbamoyloxan-4-yl)methylamino]-N-(3-chlorophenyl)pyridine-3-carboxamide

6-[(4-carbamoyloxan-4-yl)methylamino]-N-(3-chlorophenyl)pyridine-3-carboxamide (PubChem CID 133430584) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is 6-[(4-carbamoyloxan-4-yl)methylamino]-N-(3-chlorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-carbamoyloxan-4-yl)methylamino]-N-(3-chlorophenyl)pyridine-3-carboxamide
PubChem CID133430584
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC Name6-[(4-carbamoyloxan-4-yl)methylamino]-N-(3-chlorophenyl)pyridine-3-carboxamide
SMILESNC(=O)C1(CNc2ccc(C(=O)Nc3cccc(Cl)c3)cn2)CCOCC1
InChIInChI=1S/C19H21ClN4O3/c20-14-2-1-3-15(10-14)24-17(25)13-4-5-16(22-11-13)23-12-19(18(21)26)6-8-27-9-7-19/h1-5,10-11H,6-9,12H2,(H2,21,26)(H,22,23)(H,24,25)
InChIKeyDOJGCIDVVWCHKE-UHFFFAOYSA-N
XLogP2.68
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156937
N-(3-chlorophenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158234
N-(3-chlorophenyl)-6-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156799
N-(3-chlorophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155987
N-(3-chlorophenyl)-6-(2,6-dioxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide
CID 127729044
N-(3-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160796
N-(3-chlorophenyl)-6-[2-(3-methylmorpholin-4-yl)propylamino]pyridine-3-carboxamide
CID 133302708
N-(3-chlorophenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109163439
6-(4-acetylanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109163447
N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
CID 109159992
N-(3-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156138
N-(3-chlorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109163462

Frequently Asked Questions

What is the IUPAC name of 6-[(4-carbamoyloxan-4-yl)methylamino]-N-(3-chlorophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-[(4-carbamoyloxan-4-yl)methylamino]-N-(3-chlorophenyl)pyridine-3-carboxamide (CID 133430584) is 6-[(4-carbamoyloxan-4-yl)methylamino]-N-(3-chlorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(4-carbamoyloxan-4-yl)methylamino]-N-(3-chlorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(4-carbamoyloxan-4-yl)methylamino]-N-(3-chlorophenyl)pyridine-3-carboxamide is NC(=O)C1(CNc2ccc(C(=O)Nc3cccc(Cl)c3)cn2)CCOCC1.
What is the InChIKey of 6-[(4-carbamoyloxan-4-yl)methylamino]-N-(3-chlorophenyl)pyridine-3-carboxamide?
The InChIKey is DOJGCIDVVWCHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c20-14-2-1-3-15(10-14)24-17(25)13-4-5-16(22-11-13)23-12-19(18(21)26)6-8-27-9-7-19/h1-5,10-11H,6-9,12H2,(H2,21,26)(H,22,23)(H,24,25).
What are the key properties of 6-[(4-carbamoyloxan-4-yl)methylamino]-N-(3-chlorophenyl)pyridine-3-carboxamide?
6-[(4-carbamoyloxan-4-yl)methylamino]-N-(3-chlorophenyl)pyridine-3-carboxamide has a molecular weight of 388.86 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-carbamoyloxan-4-yl)methylamino]-N-(3-chlorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 133430584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).