N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

C22H23N5O2 — CID 10000408

IUPACN-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cccnc1NCc1ccncc1
InChIInChI=1S/C22H23N5O2/c28-22(26-18-3-5-19(6-4-18)27-12-14-29-15-13-27)20-2-1-9-24-21(20)25-16-17-7-10-23-11-8-17/h1-11H,12-16H2,(H,24,25)(H,26,28)
InChIKeyVZJQHOLMSQVHAC-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.18
Rot. Bonds6

About N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (PubChem CID 10000408) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
PubChem CID10000408
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cccnc1NCc1ccncc1
InChIInChI=1S/C22H23N5O2/c28-22(26-18-3-5-19(6-4-18)27-12-14-29-15-13-27)20-2-1-9-24-21(20)25-16-17-7-10-23-11-8-17/h1-11H,12-16H2,(H,24,25)(H,26,28)
InChIKeyVZJQHOLMSQVHAC-UHFFFAOYSA-N
XLogP3.18
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Momelotinib
CID 25062766
(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
Dipyridodiazepinone deriv. 21
CID 463148
Dipyridodiazepinone deriv. 23
CID 463150
Dipyridodiazepinone deriv. 24
CID 463151
Dipyridodiazepinone deriv. 26
CID 463546
3-Pyridinecarboxamide, 2-(4-morpholinyl)-N-phenyl-
CID 714698
Nevirapin 4-substituted deriv. 4g
CID 464527
Nevirapin 4-substituted deriv. 4n
CID 464534
Nevirapin 2,4-Disubstituted deriv. 12a
CID 464562
N-[3-(4-Pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-nicotinamide
CID 9947433
N-[4-Methyl-3-[6-(4-Methylpiperazin-1-Yl)-4-Oxidanylidene-Quinazolin-3-Yl]phenyl]-2-Morpholin-4-Yl-Pyridine-4-Carboxamide
CID 22238181

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (CID 10000408) is N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1cccnc1NCc1ccncc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is VZJQHOLMSQVHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-22(26-18-3-5-19(6-4-18)27-12-14-29-15-13-27)20-2-1-9-24-21(20)25-16-17-7-10-23-11-8-17/h1-11H,12-16H2,(H,24,25)(H,26,28).
What are the key properties of N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 10000408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).