N-[4-(dimethylamino)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide

C18H22N4O2 — CID 2738853

IUPACN-[4-(dimethylamino)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C18H22N4O2/c1-21(2)16-6-4-15(5-7-16)20-18(23)14-3-8-17(19-13-14)22-9-11-24-12-10-22/h3-8,13H,9-12H2,1-2H3,(H,20,23)
InChIKeyNVHIQLSPMLSUNI-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.24
Rot. Bonds4

About N-[4-(dimethylamino)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide

N-[4-(dimethylamino)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 2738853) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID2738853
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[4-(dimethylamino)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C18H22N4O2/c1-21(2)16-6-4-15(5-7-16)20-18(23)14-3-8-17(19-13-14)22-9-11-24-12-10-22/h3-8,13H,9-12H2,1-2H3,(H,20,23)
InChIKeyNVHIQLSPMLSUNI-UHFFFAOYSA-N
XLogP2.24
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

11-(2-(2-((Diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 107867
Pirenzepine
CID 4848
(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
Unii-O3pen5V8WL
CID 453331
2-Hydroxy nevirapine
CID 10850461
3-Pyridinecarboxamide, 2-(4-morpholinyl)-N-phenyl-
CID 714698
Propizepine
CID 112029
N11-Ethyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
CID 453243
N11-Ethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453308
N11-Isopropyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453313
4,N11-Diethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453335
8-Substituted Dipyridodiazepinone 5
CID 460390

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide (CID 2738853) is N-[4-(dimethylamino)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide is CN(C)c1ccc(NC(=O)c2ccc(N3CCOCC3)nc2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is NVHIQLSPMLSUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-21(2)16-6-4-15(5-7-16)20-18(23)14-3-8-17(19-13-14)22-9-11-24-12-10-22/h3-8,13H,9-12H2,1-2H3,(H,20,23).
What are the key properties of N-[4-(dimethylamino)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide?
N-[4-(dimethylamino)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 2738853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).