N-[(2-piperidin-1-ylquinolin-3-yl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine

C24H26N6 — CID 119106720

IUPACN-[(2-piperidin-1-ylquinolin-3-yl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine
SMILESc1cnc(-n2cccn2)c(CNCc2cc3ccccc3nc2N2CCCCC2)c1
InChIInChI=1S/C24H26N6/c1-4-13-29(14-5-1)24-21(16-19-8-2-3-10-22(19)28-24)18-25-17-20-9-6-11-26-23(20)30-15-7-12-27-30/h2-3,6-12,15-16,25H,1,4-5,13-14,17-18H2
InChIKeyZNGMGQQWSWKVBR-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.10
Rot. Bonds6

About N-[(2-piperidin-1-ylquinolin-3-yl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine

N-[(2-piperidin-1-ylquinolin-3-yl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine (PubChem CID 119106720) has the molecular formula C24H26N6 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[(2-piperidin-1-ylquinolin-3-yl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(2-piperidin-1-ylquinolin-3-yl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine
PubChem CID119106720
Molecular FormulaC24H26N6
Molecular Weight398.51 g/mol
Exact Mass398.22
IUPAC NameN-[(2-piperidin-1-ylquinolin-3-yl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine
SMILESc1cnc(-n2cccn2)c(CNCc2cc3ccccc3nc2N2CCCCC2)c1
InChIInChI=1S/C24H26N6/c1-4-13-29(14-5-1)24-21(16-19-8-2-3-10-22(19)28-24)18-25-17-20-9-6-11-26-23(20)30-15-7-12-27-30/h2-3,6-12,15-16,25H,1,4-5,13-14,17-18H2
InChIKeyZNGMGQQWSWKVBR-UHFFFAOYSA-N
XLogP4.10
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-piperidin-1-ylquinolin-3-yl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine?
The IUPAC name of N-[(2-piperidin-1-ylquinolin-3-yl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine (CID 119106720) is N-[(2-piperidin-1-ylquinolin-3-yl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(2-piperidin-1-ylquinolin-3-yl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine?
The canonical SMILES for N-[(2-piperidin-1-ylquinolin-3-yl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine is c1cnc(-n2cccn2)c(CNCc2cc3ccccc3nc2N2CCCCC2)c1.
What is the InChIKey of N-[(2-piperidin-1-ylquinolin-3-yl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine?
The InChIKey is ZNGMGQQWSWKVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6/c1-4-13-29(14-5-1)24-21(16-19-8-2-3-10-22(19)28-24)18-25-17-20-9-6-11-26-23(20)30-15-7-12-27-30/h2-3,6-12,15-16,25H,1,4-5,13-14,17-18H2.
What are the key properties of N-[(2-piperidin-1-ylquinolin-3-yl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine?
N-[(2-piperidin-1-ylquinolin-3-yl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine has a molecular weight of 398.51 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-piperidin-1-ylquinolin-3-yl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine is sourced from PubChem (CID 119106720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).