N,N-dimethyl-1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidine-4-carboxamide

C26H28N6O2 — CID 87055773

IUPACN,N-dimethyl-1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1
InChIInChI=1S/C26H28N6O2/c1-31(2)26(33)19-8-11-32(12-9-19)17-18-13-20-3-5-22(14-24(20)27-15-18)34-25-6-4-21(16-28-25)23-7-10-29-30-23/h3-7,10,13-16,19H,8-9,11-12,17H2,1-2H3,(H,29,30)
InChIKeyOXLCEIIBHVACRX-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.11
Rot. Bonds6

About N,N-dimethyl-1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidine-4-carboxamide

N,N-dimethyl-1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidine-4-carboxamide (PubChem CID 87055773) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is N,N-dimethyl-1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidine-4-carboxamide
PubChem CID87055773
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC NameN,N-dimethyl-1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1
InChIInChI=1S/C26H28N6O2/c1-31(2)26(33)19-8-11-32(12-9-19)17-18-13-20-3-5-22(14-24(20)27-15-18)34-25-6-4-21(16-28-25)23-7-10-29-30-23/h3-7,10,13-16,19H,8-9,11-12,17H2,1-2H3,(H,29,30)
InChIKeyOXLCEIIBHVACRX-UHFFFAOYSA-N
XLogP4.11
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N,N-dimethyl-1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidine-4-carboxamide (CID 87055773) is N,N-dimethyl-1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidine-4-carboxamide is CN(C)C(=O)C1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1.
What is the InChIKey of N,N-dimethyl-1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidine-4-carboxamide?
The InChIKey is OXLCEIIBHVACRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-31(2)26(33)19-8-11-32(12-9-19)17-18-13-20-3-5-22(14-24(20)27-15-18)34-25-6-4-21(16-28-25)23-7-10-29-30-23/h3-7,10,13-16,19H,8-9,11-12,17H2,1-2H3,(H,29,30).
What are the key properties of N,N-dimethyl-1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidine-4-carboxamide?
N,N-dimethyl-1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidine-4-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 87055773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).