N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]-2-oxo-1H-quinoline-5-carboxamide

C20H17N5O2 — CID 166380611

IUPACN-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]-2-oxo-1H-quinoline-5-carboxamide
SMILESCn1cc(C(NC(=O)c2cccc3[nH]c(=O)ccc23)c2cccnc2)cn1
InChIInChI=1S/C20H17N5O2/c1-25-12-14(11-22-25)19(13-4-3-9-21-10-13)24-20(27)16-5-2-6-17-15(16)7-8-18(26)23-17/h2-12,19H,1H3,(H,23,26)(H,24,27)
InChIKeyRQJFZOIAMIZGCB-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.18
Rot. Bonds4

About N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]-2-oxo-1H-quinoline-5-carboxamide

N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]-2-oxo-1H-quinoline-5-carboxamide (PubChem CID 166380611) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]-2-oxo-1H-quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]-2-oxo-1H-quinoline-5-carboxamide
PubChem CID166380611
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC NameN-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]-2-oxo-1H-quinoline-5-carboxamide
SMILESCn1cc(C(NC(=O)c2cccc3[nH]c(=O)ccc23)c2cccnc2)cn1
InChIInChI=1S/C20H17N5O2/c1-25-12-14(11-22-25)19(13-4-3-9-21-10-13)24-20(27)16-5-2-6-17-15(16)7-8-18(26)23-17/h2-12,19H,1H3,(H,23,26)(H,24,27)
InChIKeyRQJFZOIAMIZGCB-UHFFFAOYSA-N
XLogP2.18
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]-2-oxo-1H-quinoline-5-carboxamide?
The IUPAC name of N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]-2-oxo-1H-quinoline-5-carboxamide (CID 166380611) is N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]-2-oxo-1H-quinoline-5-carboxamide.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]-2-oxo-1H-quinoline-5-carboxamide?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]-2-oxo-1H-quinoline-5-carboxamide is Cn1cc(C(NC(=O)c2cccc3[nH]c(=O)ccc23)c2cccnc2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]-2-oxo-1H-quinoline-5-carboxamide?
The InChIKey is RQJFZOIAMIZGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-25-12-14(11-22-25)19(13-4-3-9-21-10-13)24-20(27)16-5-2-6-17-15(16)7-8-18(26)23-17/h2-12,19H,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]-2-oxo-1H-quinoline-5-carboxamide?
N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]-2-oxo-1H-quinoline-5-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]-2-oxo-1H-quinoline-5-carboxamide is sourced from PubChem (CID 166380611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).