N-(4-phenoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide

C24H20N4O2 — CID 109191420

IUPACN-(4-phenoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(NCc2cccnc2)cn1
InChIInChI=1S/C24H20N4O2/c29-24(23-13-10-20(17-27-23)26-16-18-5-4-14-25-15-18)28-19-8-11-22(12-9-19)30-21-6-2-1-3-7-21/h1-15,17,26H,16H2,(H,28,29)
InChIKeyDTNUNMBLJROSCU-UHFFFAOYSA-N
MW396.45 g/mol
LogP5.13
Rot. Bonds7

About N-(4-phenoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide

N-(4-phenoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109191420) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
PubChem CID109191420
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC NameN-(4-phenoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(NCc2cccnc2)cn1
InChIInChI=1S/C24H20N4O2/c29-24(23-13-10-20(17-27-23)26-16-18-5-4-14-25-15-18)28-19-8-11-22(12-9-19)30-21-6-2-1-3-7-21/h1-15,17,26H,16H2,(H,28,29)
InChIKeyDTNUNMBLJROSCU-UHFFFAOYSA-N
XLogP5.13
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191396
N-(2-methoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191392
N-phenyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213139
5-(2-methoxyethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109184158
5-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191291
N-(2-methoxyethyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109183851
N-(4-fluorophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213164
5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190073
4-methoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide
CID 112983018
3-phenoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]propanamide
CID 112983036
5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109184521
N-(2,4-dichlorophenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191437

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-phenoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide (CID 109191420) is N-(4-phenoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-phenoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-phenoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(NCc2cccnc2)cn1.
What is the InChIKey of N-(4-phenoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is DTNUNMBLJROSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c29-24(23-13-10-20(17-27-23)26-16-18-5-4-14-25-15-18)28-19-8-11-22(12-9-19)30-21-6-2-1-3-7-21/h1-15,17,26H,16H2,(H,28,29).
What are the key properties of N-(4-phenoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
N-(4-phenoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 5.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109191420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).