N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxamide

C25H32N6O2 — CID 58081205

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxamide
SMILESCOCCN1CCCc2ccc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)cn3)cc21
InChIInChI=1S/C25H32N6O2/c1-17-11-24(26)29-18(2)22(17)14-27-25(32)21-13-28-31(16-21)15-19-6-7-20-5-4-8-30(9-10-33-3)23(20)12-19/h6-7,11-13,16H,4-5,8-10,14-15H2,1-3H3,(H2,26,29)(H,27,32)
InChIKeyKEIRCROKHGIIMH-UHFFFAOYSA-N
MW448.57 g/mol
LogP2.85
Rot. Bonds8

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxamide (PubChem CID 58081205) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxamide
PubChem CID58081205
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxamide
SMILESCOCCN1CCCc2ccc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)cn3)cc21
InChIInChI=1S/C25H32N6O2/c1-17-11-24(26)29-18(2)22(17)14-27-25(32)21-13-28-31(16-21)15-19-6-7-20-5-4-8-30(9-10-33-3)23(20)12-19/h6-7,11-13,16H,4-5,8-10,14-15H2,1-3H3,(H2,26,29)(H,27,32)
InChIKeyKEIRCROKHGIIMH-UHFFFAOYSA-N
XLogP2.85
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxamide (CID 58081205) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxamide is COCCN1CCCc2ccc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)cn3)cc21.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is KEIRCROKHGIIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-17-11-24(26)29-18(2)22(17)14-27-25(32)21-13-28-31(16-21)15-19-6-7-20-5-4-8-30(9-10-33-3)23(20)12-19/h6-7,11-13,16H,4-5,8-10,14-15H2,1-3H3,(H2,26,29)(H,27,32).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 58081205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).