N-[3-oxo-3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide

C18H20N4O2 — CID 154754726

IUPACN-[3-oxo-3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESO=C(CCNC(=O)C1CCCc2cccnc21)Nc1cccnc1
InChIInChI=1S/C18H20N4O2/c23-16(22-14-6-3-9-19-12-14)8-11-21-18(24)15-7-1-4-13-5-2-10-20-17(13)15/h2-3,5-6,9-10,12,15H,1,4,7-8,11H2,(H,21,24)(H,22,23)
InChIKeySPYIWYZPIBZFGW-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.04
Rot. Bonds5

About N-[3-oxo-3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide

N-[3-oxo-3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide (PubChem CID 154754726) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[3-oxo-3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
PubChem CID154754726
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[3-oxo-3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESO=C(CCNC(=O)C1CCCc2cccnc21)Nc1cccnc1
InChIInChI=1S/C18H20N4O2/c23-16(22-14-6-3-9-19-12-14)8-11-21-18(24)15-7-1-4-13-5-2-10-20-17(13)15/h2-3,5-6,9-10,12,15H,1,4,7-8,11H2,(H,21,24)(H,22,23)
InChIKeySPYIWYZPIBZFGW-UHFFFAOYSA-N
XLogP2.04
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-oxo-3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide with MolForge

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Related Compounds

N-[3-oxo-3-(pyridin-3-ylamino)propyl]pyrrolidine-2-carboxamide
CID 119873237
N-[3-oxo-3-(pyridin-3-ylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119873236
3-acetamido-N-pyridin-3-ylpropanamide
CID 91801519
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
3-[[2-(cyclopropylmethoxy)acetyl]amino]-N-pyridin-3-ylpropanamide
CID 167813962
4-(methylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116555632
4-chloro-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 79745424
N-cyclobutyloxy-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 154862038
3-cyclohexyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 115782065
2-pyridin-4-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 79746027
3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 79745653
2-cyclopropyl-N-pyridin-3-ylacetamide
CID 131129634

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The IUPAC name of N-[3-oxo-3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide (CID 154754726) is N-[3-oxo-3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for N-[3-oxo-3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for N-[3-oxo-3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide is O=C(CCNC(=O)C1CCCc2cccnc21)Nc1cccnc1.
What is the InChIKey of N-[3-oxo-3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The InChIKey is SPYIWYZPIBZFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-16(22-14-6-3-9-19-12-14)8-11-21-18(24)15-7-1-4-13-5-2-10-20-17(13)15/h2-3,5-6,9-10,12,15H,1,4,7-8,11H2,(H,21,24)(H,22,23).
What are the key properties of N-[3-oxo-3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
N-[3-oxo-3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 154754726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).