N-[[4-(dimethylamino)phenyl]-[(2-pyridin-3-ylacetyl)amino]methyl]-2-pyridin-3-ylacetamide

C23H25N5O2 — CID 71664480

IUPACN-[[4-(dimethylamino)phenyl]-[(2-pyridin-3-ylacetyl)amino]methyl]-2-pyridin-3-ylacetamide
SMILESCN(C)c1ccc(C(NC(=O)Cc2cccnc2)NC(=O)Cc2cccnc2)cc1
InChIInChI=1S/C23H25N5O2/c1-28(2)20-9-7-19(8-10-20)23(26-21(29)13-17-5-3-11-24-15-17)27-22(30)14-18-6-4-12-25-16-18/h3-12,15-16,23H,13-14H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyUWUGFXWPMUTDQH-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.26
Rot. Bonds8

About N-[[4-(dimethylamino)phenyl]-[(2-pyridin-3-ylacetyl)amino]methyl]-2-pyridin-3-ylacetamide

N-[[4-(dimethylamino)phenyl]-[(2-pyridin-3-ylacetyl)amino]methyl]-2-pyridin-3-ylacetamide (PubChem CID 71664480) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]-[(2-pyridin-3-ylacetyl)amino]methyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]-[(2-pyridin-3-ylacetyl)amino]methyl]-2-pyridin-3-ylacetamide
PubChem CID71664480
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-[[4-(dimethylamino)phenyl]-[(2-pyridin-3-ylacetyl)amino]methyl]-2-pyridin-3-ylacetamide
SMILESCN(C)c1ccc(C(NC(=O)Cc2cccnc2)NC(=O)Cc2cccnc2)cc1
InChIInChI=1S/C23H25N5O2/c1-28(2)20-9-7-19(8-10-20)23(26-21(29)13-17-5-3-11-24-15-17)27-22(30)14-18-6-4-12-25-16-18/h3-12,15-16,23H,13-14H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyUWUGFXWPMUTDQH-UHFFFAOYSA-N
XLogP2.26
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(1-hydroxypropan-2-yl)-2-pyridin-3-ylacetamide
CID 62691061
N-(4-hydroxybutan-2-yl)-2-pyridin-3-ylacetamide
CID 115283484
N-[[4-(dipropylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide
CID 71460953
N-[[4-(dimethylamino)phenyl]methyl]-3-pyridin-3-ylpropanamide
CID 27888266
methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690739
(S)-[4-(dimethylamino)phenyl]-pyridin-3-ylmethanol
CID 129369618
4-(dimethylamino)-N-(1-pyridin-3-ylethyl)benzamide
CID 51192997
N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(pyridin-3-ylmethyl)oxamide
CID 7644945
3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 55100610
N'-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-N-(pyridin-3-ylmethyl)oxamide
CID 43996766
3-amino-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 67329500
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110627067

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]-[(2-pyridin-3-ylacetyl)amino]methyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]-[(2-pyridin-3-ylacetyl)amino]methyl]-2-pyridin-3-ylacetamide (CID 71664480) is N-[[4-(dimethylamino)phenyl]-[(2-pyridin-3-ylacetyl)amino]methyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]-[(2-pyridin-3-ylacetyl)amino]methyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]-[(2-pyridin-3-ylacetyl)amino]methyl]-2-pyridin-3-ylacetamide is CN(C)c1ccc(C(NC(=O)Cc2cccnc2)NC(=O)Cc2cccnc2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]-[(2-pyridin-3-ylacetyl)amino]methyl]-2-pyridin-3-ylacetamide?
The InChIKey is UWUGFXWPMUTDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-28(2)20-9-7-19(8-10-20)23(26-21(29)13-17-5-3-11-24-15-17)27-22(30)14-18-6-4-12-25-16-18/h3-12,15-16,23H,13-14H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-[[4-(dimethylamino)phenyl]-[(2-pyridin-3-ylacetyl)amino]methyl]-2-pyridin-3-ylacetamide?
N-[[4-(dimethylamino)phenyl]-[(2-pyridin-3-ylacetyl)amino]methyl]-2-pyridin-3-ylacetamide has a molecular weight of 403.49 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]-[(2-pyridin-3-ylacetyl)amino]methyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 71664480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).