4-(cyclopropylcarbamoylamino)-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide

C21H27N5O2 — CID 55847521

IUPAC4-(cyclopropylcarbamoylamino)-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide
SMILESCCN(CC)c1ccc(CNC(=O)c2ccc(NC(=O)NC3CC3)cc2)cn1
InChIInChI=1S/C21H27N5O2/c1-3-26(4-2)19-12-5-15(13-22-19)14-23-20(27)16-6-8-17(9-7-16)24-21(28)25-18-10-11-18/h5-9,12-13,18H,3-4,10-11,14H2,1-2H3,(H,23,27)(H2,24,25,28)
InChIKeyIUIGOMGFUKUXCQ-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.14
Rot. Bonds8

About 4-(cyclopropylcarbamoylamino)-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide

4-(cyclopropylcarbamoylamino)-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide (PubChem CID 55847521) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-(cyclopropylcarbamoylamino)-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylcarbamoylamino)-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide
PubChem CID55847521
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name4-(cyclopropylcarbamoylamino)-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide
SMILESCCN(CC)c1ccc(CNC(=O)c2ccc(NC(=O)NC3CC3)cc2)cn1
InChIInChI=1S/C21H27N5O2/c1-3-26(4-2)19-12-5-15(13-22-19)14-23-20(27)16-6-8-17(9-7-16)24-21(28)25-18-10-11-18/h5-9,12-13,18H,3-4,10-11,14H2,1-2H3,(H,23,27)(H2,24,25,28)
InChIKeyIUIGOMGFUKUXCQ-UHFFFAOYSA-N
XLogP3.14
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(diethylamino)-3-pyridinyl]-3-(4-hydroxycyclohexyl)urea
CID 51082122
4-(cyclopropylcarbamoylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
CID 55839328
4-(cyclohexylcarbamoylamino)-N-ethylbenzamide
CID 17234323
4-(cyclopropylcarbamoylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55838098
4-(cyclohexylcarbamoylamino)-N-propylbenzamide
CID 17180771
N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55848814
4-(cyclopropylcarbamoylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 31974410
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119846347
1-N-cyclopropyl-4-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109043408
2-(4-aminophenyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]acetamide
CID 119846342
2-amino-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide
CID 119946492

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylcarbamoylamino)-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 4-(cyclopropylcarbamoylamino)-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide (CID 55847521) is 4-(cyclopropylcarbamoylamino)-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 4-(cyclopropylcarbamoylamino)-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 4-(cyclopropylcarbamoylamino)-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide is CCN(CC)c1ccc(CNC(=O)c2ccc(NC(=O)NC3CC3)cc2)cn1.
What is the InChIKey of 4-(cyclopropylcarbamoylamino)-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide?
The InChIKey is IUIGOMGFUKUXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-3-26(4-2)19-12-5-15(13-22-19)14-23-20(27)16-6-8-17(9-7-16)24-21(28)25-18-10-11-18/h5-9,12-13,18H,3-4,10-11,14H2,1-2H3,(H,23,27)(H2,24,25,28).
What are the key properties of 4-(cyclopropylcarbamoylamino)-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide?
4-(cyclopropylcarbamoylamino)-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide has a molecular weight of 381.48 g/mol, XLogP of 3.14, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylcarbamoylamino)-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 55847521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).