N-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-2-naphthalen-2-ylethyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide

C27H27N5O2 — CID 166329105

IUPACN-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-2-naphthalen-2-ylethyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESCc1[nH]ncc1C(=O)NC(CNC(=O)C1CCCc2cccnc21)c1ccc2ccccc2c1
InChIInChI=1S/C27H27N5O2/c1-17-23(15-30-32-17)27(34)31-24(21-12-11-18-6-2-3-7-20(18)14-21)16-29-26(33)22-10-4-8-19-9-5-13-28-25(19)22/h2-3,5-7,9,11-15,22,24H,4,8,10,16H2,1H3,(H,29,33)(H,30,32)(H,31,34)
InChIKeyBGFFUCXYBGUVLH-UHFFFAOYSA-N
MW453.55 g/mol
LogP3.97
Rot. Bonds6

About N-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-2-naphthalen-2-ylethyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide

N-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-2-naphthalen-2-ylethyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide (PubChem CID 166329105) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is N-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-2-naphthalen-2-ylethyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-2-naphthalen-2-ylethyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
PubChem CID166329105
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC NameN-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-2-naphthalen-2-ylethyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESCc1[nH]ncc1C(=O)NC(CNC(=O)C1CCCc2cccnc21)c1ccc2ccccc2c1
InChIInChI=1S/C27H27N5O2/c1-17-23(15-30-32-17)27(34)31-24(21-12-11-18-6-2-3-7-20(18)14-21)16-29-26(33)22-10-4-8-19-9-5-13-28-25(19)22/h2-3,5-7,9,11-15,22,24H,4,8,10,16H2,1H3,(H,29,33)(H,30,32)(H,31,34)
InChIKeyBGFFUCXYBGUVLH-UHFFFAOYSA-N
XLogP3.97
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-2-naphthalen-2-ylethyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The IUPAC name of N-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-2-naphthalen-2-ylethyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide (CID 166329105) is N-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-2-naphthalen-2-ylethyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for N-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-2-naphthalen-2-ylethyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for N-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-2-naphthalen-2-ylethyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide is Cc1[nH]ncc1C(=O)NC(CNC(=O)C1CCCc2cccnc21)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-2-naphthalen-2-ylethyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The InChIKey is BGFFUCXYBGUVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2/c1-17-23(15-30-32-17)27(34)31-24(21-12-11-18-6-2-3-7-20(18)14-21)16-29-26(33)22-10-4-8-19-9-5-13-28-25(19)22/h2-3,5-7,9,11-15,22,24H,4,8,10,16H2,1H3,(H,29,33)(H,30,32)(H,31,34).
What are the key properties of N-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-2-naphthalen-2-ylethyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
N-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-2-naphthalen-2-ylethyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide has a molecular weight of 453.55 g/mol, XLogP of 3.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-2-naphthalen-2-ylethyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 166329105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).