3-(methylamino)-4-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)propanimidoyl]benzamide

C16H23N5O — CID 142103618

IUPAC3-(methylamino)-4-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)propanimidoyl]benzamide
SMILES[H]/N=C(\CCNC1=NCCCC1)c1ccc(C(N)=O)cc1NC
InChIInChI=1S/C16H23N5O/c1-19-14-10-11(16(18)22)5-6-12(14)13(17)7-9-21-15-4-2-3-8-20-15/h5-6,10,17,19H,2-4,7-9H2,1H3,(H2,18,22)(H,20,21)/b17-13+
InChIKeyYGNHCOACRXKGNV-GHRIWEEISA-N
MW301.39 g/mol
LogP1.76
Rot. Bonds6

About 3-(methylamino)-4-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)propanimidoyl]benzamide

3-(methylamino)-4-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)propanimidoyl]benzamide (PubChem CID 142103618) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(methylamino)-4-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)propanimidoyl]benzamide.

Molecular Properties

Compound Name3-(methylamino)-4-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)propanimidoyl]benzamide
PubChem CID142103618
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name3-(methylamino)-4-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)propanimidoyl]benzamide
SMILES[H]/N=C(\CCNC1=NCCCC1)c1ccc(C(N)=O)cc1NC
InChIInChI=1S/C16H23N5O/c1-19-14-10-11(16(18)22)5-6-12(14)13(17)7-9-21-15-4-2-3-8-20-15/h5-6,10,17,19H,2-4,7-9H2,1H3,(H2,18,22)(H,20,21)/b17-13+
InChIKeyYGNHCOACRXKGNV-GHRIWEEISA-N
XLogP1.76
TPSA103.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(4-carbamoyl-2-methanimidoylphenyl)-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethyl]azanium
CID 142000998
methyl 3-(methylamino)-4-propanimidoylbenzoate
CID 174256132
4-tert-butyl-3-(methylaminomethylamino)benzamide
CID 19348699
4-iodo-3-(methylamino)benzamide
CID 131403520
2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethanesulfonic acid
CID 10013743
5-tert-butyl-N-methyl-2-propanimidoylaniline
CID 123530487
3-[[3-(dimethylamino)-3-oxopropyl]amino]-4-nitrobenzamide
CID 82994972
1-(3,4-dichlorophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethanone;hydrochloride
CID 44789159
2-(2-methylsulfonylethylamino)benzene-1,4-dicarboxamide
CID 67418978
N',N'-diethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine
CID 79508860
3-amino-4-[2-[4-carbamoyl-2-(methylamino)anilino]ethylamino]-N-methylbenzamide
CID 156790437
4-ethanimidoyl-2-fluoro-5-(methylamino)benzamide
CID 174256186

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-4-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)propanimidoyl]benzamide?
The IUPAC name of 3-(methylamino)-4-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)propanimidoyl]benzamide (CID 142103618) is 3-(methylamino)-4-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)propanimidoyl]benzamide.
What is the SMILES notation for 3-(methylamino)-4-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)propanimidoyl]benzamide?
The canonical SMILES for 3-(methylamino)-4-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)propanimidoyl]benzamide is [H]/N=C(\CCNC1=NCCCC1)c1ccc(C(N)=O)cc1NC.
What is the InChIKey of 3-(methylamino)-4-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)propanimidoyl]benzamide?
The InChIKey is YGNHCOACRXKGNV-GHRIWEEISA-N. The full InChI is InChI=1S/C16H23N5O/c1-19-14-10-11(16(18)22)5-6-12(14)13(17)7-9-21-15-4-2-3-8-20-15/h5-6,10,17,19H,2-4,7-9H2,1H3,(H2,18,22)(H,20,21)/b17-13+.
What are the key properties of 3-(methylamino)-4-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)propanimidoyl]benzamide?
3-(methylamino)-4-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)propanimidoyl]benzamide has a molecular weight of 301.39 g/mol, XLogP of 1.76, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-4-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)propanimidoyl]benzamide is sourced from PubChem (CID 142103618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).