N-[5-[1-[4-(ethylaminomethyl)-5-propyl-1H-pyrazol-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide

C25H32N6O — CID 145090631

IUPACN-[5-[1-[4-(ethylaminomethyl)-5-propyl-1H-pyrazol-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide
SMILESCCCc1[nH]nc(N2CCCc3cc(-c4ccc(NC(C)=O)nc4)ccc32)c1CNCC
InChIInChI=1S/C25H32N6O/c1-4-7-22-21(16-26-5-2)25(30-29-22)31-13-6-8-19-14-18(9-11-23(19)31)20-10-12-24(27-15-20)28-17(3)32/h9-12,14-15,26H,4-8,13,16H2,1-3H3,(H,29,30)(H,27,28,32)
InChIKeyNPAVNBZIIJBCQN-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.58
Rot. Bonds8

About N-[5-[1-[4-(ethylaminomethyl)-5-propyl-1H-pyrazol-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide

N-[5-[1-[4-(ethylaminomethyl)-5-propyl-1H-pyrazol-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide (PubChem CID 145090631) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[5-[1-[4-(ethylaminomethyl)-5-propyl-1H-pyrazol-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[1-[4-(ethylaminomethyl)-5-propyl-1H-pyrazol-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide
PubChem CID145090631
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC NameN-[5-[1-[4-(ethylaminomethyl)-5-propyl-1H-pyrazol-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide
SMILESCCCc1[nH]nc(N2CCCc3cc(-c4ccc(NC(C)=O)nc4)ccc32)c1CNCC
InChIInChI=1S/C25H32N6O/c1-4-7-22-21(16-26-5-2)25(30-29-22)31-13-6-8-19-14-18(9-11-23(19)31)20-10-12-24(27-15-20)28-17(3)32/h9-12,14-15,26H,4-8,13,16H2,1-3H3,(H,29,30)(H,27,28,32)
InChIKeyNPAVNBZIIJBCQN-UHFFFAOYSA-N
XLogP4.58
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyridinyl]acetamide
CID 139019291
1-[3-[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;oxolane
CID 145090935
N-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62279125
3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbaldehyde
CID 139398865
hexane;1-methyl-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinoline
CID 145091188
N-[5-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]propanamide
CID 113031855
N-[5-[3-methyl-4-(methylaminomethyl)phenyl]-2-pyridinyl]acetamide
CID 154786137
N-[[5-bromo-2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62281203
N-[5-[2-(4-fluorophenyl)-5-propyl-1H-imidazol-4-yl]-2-pyridinyl]acetamide
CID 59385009
1-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]propan-2-one
CID 82540729
6-(6-ethoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline;octane
CID 145105898
5-[1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide
CID 121372767

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[4-(ethylaminomethyl)-5-propyl-1H-pyrazol-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[1-[4-(ethylaminomethyl)-5-propyl-1H-pyrazol-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide (CID 145090631) is N-[5-[1-[4-(ethylaminomethyl)-5-propyl-1H-pyrazol-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[1-[4-(ethylaminomethyl)-5-propyl-1H-pyrazol-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[1-[4-(ethylaminomethyl)-5-propyl-1H-pyrazol-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide is CCCc1[nH]nc(N2CCCc3cc(-c4ccc(NC(C)=O)nc4)ccc32)c1CNCC.
What is the InChIKey of N-[5-[1-[4-(ethylaminomethyl)-5-propyl-1H-pyrazol-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide?
The InChIKey is NPAVNBZIIJBCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O/c1-4-7-22-21(16-26-5-2)25(30-29-22)31-13-6-8-19-14-18(9-11-23(19)31)20-10-12-24(27-15-20)28-17(3)32/h9-12,14-15,26H,4-8,13,16H2,1-3H3,(H,29,30)(H,27,28,32).
What are the key properties of N-[5-[1-[4-(ethylaminomethyl)-5-propyl-1H-pyrazol-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide?
N-[5-[1-[4-(ethylaminomethyl)-5-propyl-1H-pyrazol-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide has a molecular weight of 432.57 g/mol, XLogP of 4.58, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[4-(ethylaminomethyl)-5-propyl-1H-pyrazol-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 145090631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).