3-pyridin-3-yl-2-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide

C19H19N5O — CID 142792044

IUPAC3-pyridin-3-yl-2-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide
SMILESNC(=O)C(Cc1cccnc1)(NCc1ccncc1)c1ccncc1
InChIInChI=1S/C19H19N5O/c20-18(25)19(17-5-10-22-11-6-17,12-16-2-1-7-23-13-16)24-14-15-3-8-21-9-4-15/h1-11,13,24H,12,14H2,(H2,20,25)
InChIKeyXYMPHBZANMRBKO-UHFFFAOYSA-N
MW333.40 g/mol
LogP1.58
Rot. Bonds7

About 3-pyridin-3-yl-2-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide

3-pyridin-3-yl-2-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide (PubChem CID 142792044) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 3-pyridin-3-yl-2-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide.

Molecular Properties

Compound Name3-pyridin-3-yl-2-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide
PubChem CID142792044
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name3-pyridin-3-yl-2-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide
SMILESNC(=O)C(Cc1cccnc1)(NCc1ccncc1)c1ccncc1
InChIInChI=1S/C19H19N5O/c20-18(25)19(17-5-10-22-11-6-17,12-16-2-1-7-23-13-16)24-14-15-3-8-21-9-4-15/h1-11,13,24H,12,14H2,(H2,20,25)
InChIKeyXYMPHBZANMRBKO-UHFFFAOYSA-N
XLogP1.58
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-hydroxyphenyl)-3-pyridin-3-yl-2-(pyridin-4-ylmethylamino)propanamide
CID 142791803
2-(2,6-dichlorophenyl)-3-pyridin-4-yl-2-(pyridin-3-ylmethylamino)propanamide
CID 142792620
2-naphthalen-2-yl-3-pyridin-3-yl-2-(pyridin-3-ylmethylamino)propanamide
CID 142792047
2-pyridin-2-yl-3-pyridin-4-yl-2-(pyridin-3-ylmethylamino)propanamide
CID 142792490
2-(2,3-dichlorophenyl)-3-pyridin-4-yl-2-(pyridin-3-ylmethylamino)propanamide
CID 142792015
2-(2-ethoxyphenyl)-3-pyridin-4-yl-2-(pyridin-3-ylmethylamino)propanamide
CID 142792386
2-(3-methylphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide
CID 142792098
2-(2-hydroxyphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide
CID 142792407
2-(benzylamino)-2-pyridin-4-ylpropanamide
CID 54891502
2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine
CID 159685342
2-(benzylamino)-2-pyridin-3-ylpropanamide
CID 54891500
2-(4-propan-2-ylphenyl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142792578

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-2-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide?
The IUPAC name of 3-pyridin-3-yl-2-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide (CID 142792044) is 3-pyridin-3-yl-2-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide.
What is the SMILES notation for 3-pyridin-3-yl-2-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide?
The canonical SMILES for 3-pyridin-3-yl-2-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide is NC(=O)C(Cc1cccnc1)(NCc1ccncc1)c1ccncc1.
What is the InChIKey of 3-pyridin-3-yl-2-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide?
The InChIKey is XYMPHBZANMRBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c20-18(25)19(17-5-10-22-11-6-17,12-16-2-1-7-23-13-16)24-14-15-3-8-21-9-4-15/h1-11,13,24H,12,14H2,(H2,20,25).
What are the key properties of 3-pyridin-3-yl-2-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide?
3-pyridin-3-yl-2-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide has a molecular weight of 333.40 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-2-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide is sourced from PubChem (CID 142792044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).