N,N-dipropyl-4-(1-pyridin-2-ylethylcarbamoylamino)benzamide

C21H28N4O2 — CID 51118854

IUPACN,N-dipropyl-4-(1-pyridin-2-ylethylcarbamoylamino)benzamide
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)NC(C)c2ccccn2)cc1
InChIInChI=1S/C21H28N4O2/c1-4-14-25(15-5-2)20(26)17-9-11-18(12-10-17)24-21(27)23-16(3)19-8-6-7-13-22-19/h6-13,16H,4-5,14-15H2,1-3H3,(H2,23,24,27)
InChIKeyBKSSGNWAFQSAMV-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.23
Rot. Bonds8

About N,N-dipropyl-4-(1-pyridin-2-ylethylcarbamoylamino)benzamide

N,N-dipropyl-4-(1-pyridin-2-ylethylcarbamoylamino)benzamide (PubChem CID 51118854) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N,N-dipropyl-4-(1-pyridin-2-ylethylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN,N-dipropyl-4-(1-pyridin-2-ylethylcarbamoylamino)benzamide
PubChem CID51118854
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN,N-dipropyl-4-(1-pyridin-2-ylethylcarbamoylamino)benzamide
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)NC(C)c2ccccn2)cc1
InChIInChI=1S/C21H28N4O2/c1-4-14-25(15-5-2)20(26)17-9-11-18(12-10-17)24-21(27)23-16(3)19-8-6-7-13-22-19/h6-13,16H,4-5,14-15H2,1-3H3,(H2,23,24,27)
InChIKeyBKSSGNWAFQSAMV-UHFFFAOYSA-N
XLogP4.23
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propan-2-ylphenyl)-3-(1-pyridin-2-ylethyl)urea
CID 17182556
N-[4-(1-pyridin-2-ylethylamino)phenyl]propanamide
CID 43720633
1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea
CID 75415056
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
1-(3-chlorophenyl)-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 41083408
1-(3-chloro-4-cyanophenyl)-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 94775392
4-[(2-cyanoacetyl)amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 41024194
ethyl 4-[(3-methyl-1-pyridin-2-ylbutyl)carbamoylamino]benzoate
CID 171679582
4-(methylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 62168146
(2S)-2-(1-pyridin-2-ylethylcarbamoylamino)pentanoic acid
CID 107566198
4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832017
1-(3-methylsulfanylphenyl)-3-(1-pyridin-2-ylethyl)urea
CID 17182597

Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-4-(1-pyridin-2-ylethylcarbamoylamino)benzamide?
The IUPAC name of N,N-dipropyl-4-(1-pyridin-2-ylethylcarbamoylamino)benzamide (CID 51118854) is N,N-dipropyl-4-(1-pyridin-2-ylethylcarbamoylamino)benzamide.
What is the SMILES notation for N,N-dipropyl-4-(1-pyridin-2-ylethylcarbamoylamino)benzamide?
The canonical SMILES for N,N-dipropyl-4-(1-pyridin-2-ylethylcarbamoylamino)benzamide is CCCN(CCC)C(=O)c1ccc(NC(=O)NC(C)c2ccccn2)cc1.
What is the InChIKey of N,N-dipropyl-4-(1-pyridin-2-ylethylcarbamoylamino)benzamide?
The InChIKey is BKSSGNWAFQSAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-4-14-25(15-5-2)20(26)17-9-11-18(12-10-17)24-21(27)23-16(3)19-8-6-7-13-22-19/h6-13,16H,4-5,14-15H2,1-3H3,(H2,23,24,27).
What are the key properties of N,N-dipropyl-4-(1-pyridin-2-ylethylcarbamoylamino)benzamide?
N,N-dipropyl-4-(1-pyridin-2-ylethylcarbamoylamino)benzamide has a molecular weight of 368.48 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-4-(1-pyridin-2-ylethylcarbamoylamino)benzamide is sourced from PubChem (CID 51118854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).