5-N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]pyridine-3,5-dicarboxamide

C17H18N6O4 — CID 166231181

IUPAC5-N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]pyridine-3,5-dicarboxamide
SMILESNC(=O)CCNC(=O)Nc1cccc(NC(=O)c2cncc(C(N)=O)c2)c1
InChIInChI=1S/C17H18N6O4/c18-14(24)4-5-21-17(27)23-13-3-1-2-12(7-13)22-16(26)11-6-10(15(19)25)8-20-9-11/h1-3,6-9H,4-5H2,(H2,18,24)(H2,19,25)(H,22,26)(H2,21,23,27)
InChIKeyZOGIEIITOYHAAR-UHFFFAOYSA-N
MW370.37 g/mol
LogP0.43
Rot. Bonds7

About 5-N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]pyridine-3,5-dicarboxamide

5-N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]pyridine-3,5-dicarboxamide (PubChem CID 166231181) has the molecular formula C17H18N6O4 and a molecular weight of 370.37 g/mol. Its IUPAC name is 5-N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]pyridine-3,5-dicarboxamide
PubChem CID166231181
Molecular FormulaC17H18N6O4
Molecular Weight370.37 g/mol
Exact Mass370.14
IUPAC Name5-N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]pyridine-3,5-dicarboxamide
SMILESNC(=O)CCNC(=O)Nc1cccc(NC(=O)c2cncc(C(N)=O)c2)c1
InChIInChI=1S/C17H18N6O4/c18-14(24)4-5-21-17(27)23-13-3-1-2-12(7-13)22-16(26)11-6-10(15(19)25)8-20-9-11/h1-3,6-9H,4-5H2,(H2,18,24)(H2,19,25)(H,22,26)(H2,21,23,27)
InChIKeyZOGIEIITOYHAAR-UHFFFAOYSA-N
XLogP0.43
TPSA169.30 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 50.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-aminophenyl)carbamoylamino]propanamide
CID 43553830
N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
CID 166366395
N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]-5-bromo-6-oxo-1H-pyrimidine-4-carboxamide
CID 167803039
5-N-(3-acetamidophenyl)-3-N-butylpyridine-3,5-dicarboxamide
CID 109102049
3-(naphthalen-2-ylcarbamoylamino)propanamide
CID 23023573
3-N-(3-acetamidophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101470
5-N-(3-methylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106204
5-N-(3-fluorophenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106241
2-[3-[(4-amino-4-oxobutyl)carbamoylamino]phenyl]acetic acid
CID 65345815
3-N-(3-acetylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106794
7-[3-(2-chloroethylcarbamoylamino)phenyl]heptanamide
CID 142971425
3-[(3,5-dichlorophenyl)carbamoylamino]propanamide
CID 56814254

Frequently Asked Questions

What is the IUPAC name of 5-N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]pyridine-3,5-dicarboxamide (CID 166231181) is 5-N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]pyridine-3,5-dicarboxamide is NC(=O)CCNC(=O)Nc1cccc(NC(=O)c2cncc(C(N)=O)c2)c1.
What is the InChIKey of 5-N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]pyridine-3,5-dicarboxamide?
The InChIKey is ZOGIEIITOYHAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O4/c18-14(24)4-5-21-17(27)23-13-3-1-2-12(7-13)22-16(26)11-6-10(15(19)25)8-20-9-11/h1-3,6-9H,4-5H2,(H2,18,24)(H2,19,25)(H,22,26)(H2,21,23,27).
What are the key properties of 5-N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]pyridine-3,5-dicarboxamide?
5-N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]pyridine-3,5-dicarboxamide has a molecular weight of 370.37 g/mol, XLogP of 0.43, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 166231181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).