N-[2-(diethylamino)ethyl]-4-(pyridin-3-ylcarbamoylamino)benzamide

C19H25N5O2 — CID 142899815

IUPACN-[2-(diethylamino)ethyl]-4-(pyridin-3-ylcarbamoylamino)benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)Nc2cccnc2)cc1
InChIInChI=1S/C19H25N5O2/c1-3-24(4-2)13-12-21-18(25)15-7-9-16(10-8-15)22-19(26)23-17-6-5-11-20-14-17/h5-11,14H,3-4,12-13H2,1-2H3,(H,21,25)(H2,22,23,26)
InChIKeyAAELZMCWJCUTFI-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.80
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-4-(pyridin-3-ylcarbamoylamino)benzamide

N-[2-(diethylamino)ethyl]-4-(pyridin-3-ylcarbamoylamino)benzamide (PubChem CID 142899815) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-(pyridin-3-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-(pyridin-3-ylcarbamoylamino)benzamide
PubChem CID142899815
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-[2-(diethylamino)ethyl]-4-(pyridin-3-ylcarbamoylamino)benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)Nc2cccnc2)cc1
InChIInChI=1S/C19H25N5O2/c1-3-24(4-2)13-12-21-18(25)15-7-9-16(10-8-15)22-19(26)23-17-6-5-11-20-14-17/h5-11,14H,3-4,12-13H2,1-2H3,(H,21,25)(H2,22,23,26)
InChIKeyAAELZMCWJCUTFI-UHFFFAOYSA-N
XLogP2.80
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
N-[2-(diethylamino)ethyl]-4-(1,3-oxazol-4-ylcarbamoylamino)benzamide
CID 91324654
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide
CID 17229715
4-[(5-bromothiophen-3-yl)carbamoylamino]-N-[2-(diethylamino)ethyl]benzamide
CID 91327378
N-[3-(diethylamino)propyl]-N'-pyridin-3-yloxamide
CID 47333747
4-(pyridin-3-ylcarbamoylamino)benzamide
CID 47129704
2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide
CID 12500967
N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 17229741
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-iodobenzamide
CID 17229734
1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
4-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827825

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-(pyridin-3-ylcarbamoylamino)benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-(pyridin-3-ylcarbamoylamino)benzamide (CID 142899815) is N-[2-(diethylamino)ethyl]-4-(pyridin-3-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-(pyridin-3-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-(pyridin-3-ylcarbamoylamino)benzamide is CCN(CC)CCNC(=O)c1ccc(NC(=O)Nc2cccnc2)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-(pyridin-3-ylcarbamoylamino)benzamide?
The InChIKey is AAELZMCWJCUTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-3-24(4-2)13-12-21-18(25)15-7-9-16(10-8-15)22-19(26)23-17-6-5-11-20-14-17/h5-11,14H,3-4,12-13H2,1-2H3,(H,21,25)(H2,22,23,26).
What are the key properties of N-[2-(diethylamino)ethyl]-4-(pyridin-3-ylcarbamoylamino)benzamide?
N-[2-(diethylamino)ethyl]-4-(pyridin-3-ylcarbamoylamino)benzamide has a molecular weight of 355.44 g/mol, XLogP of 2.80, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-(pyridin-3-ylcarbamoylamino)benzamide is sourced from PubChem (CID 142899815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).