5-[4-[2-(carbamoylamino)ethyl]phenyl]-N-methoxy-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide

C21H24N6O4 — CID 21090968

IUPAC5-[4-[2-(carbamoylamino)ethyl]phenyl]-N-methoxy-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)N(C)OC)cc2-c2ccc(CCNC(N)=O)cc2)cn1
InChIInChI=1S/C21H24N6O4/c1-26(31-3)20(28)17-12-18(27(25-17)16-8-9-19(30-2)24-13-16)15-6-4-14(5-7-15)10-11-23-21(22)29/h4-9,12-13H,10-11H2,1-3H3,(H3,22,23,29)
InChIKeyCAQFTUGIZYBDRB-UHFFFAOYSA-N
MW424.46 g/mol
LogP1.79
Rot. Bonds8

About 5-[4-[2-(carbamoylamino)ethyl]phenyl]-N-methoxy-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide

5-[4-[2-(carbamoylamino)ethyl]phenyl]-N-methoxy-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide (PubChem CID 21090968) has the molecular formula C21H24N6O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is 5-[4-[2-(carbamoylamino)ethyl]phenyl]-N-methoxy-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[4-[2-(carbamoylamino)ethyl]phenyl]-N-methoxy-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide
PubChem CID21090968
Molecular FormulaC21H24N6O4
Molecular Weight424.46 g/mol
Exact Mass424.19
IUPAC Name5-[4-[2-(carbamoylamino)ethyl]phenyl]-N-methoxy-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)N(C)OC)cc2-c2ccc(CCNC(N)=O)cc2)cn1
InChIInChI=1S/C21H24N6O4/c1-26(31-3)20(28)17-12-18(27(25-17)16-8-9-19(30-2)24-13-16)15-6-4-14(5-7-15)10-11-23-21(22)29/h4-9,12-13H,10-11H2,1-3H3,(H3,22,23,29)
InChIKeyCAQFTUGIZYBDRB-UHFFFAOYSA-N
XLogP1.79
TPSA124.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[4-[2-(carbamoylamino)ethyl]phenyl]-N-methoxy-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide with MolForge

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Related Compounds

[4-[3-[methoxy(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenyl]methyl N-tert-butylcarbamate
CID 90687518
2-[4-[3-chloro-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethylurea
CID 21091069
5-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-N-ethyl-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide
CID 58806815
2-[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenoxy]ethylurea
CID 21091103
2-[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethylurea
CID 21091099
tert-butyl N-[[4-[1-(6-methoxy-3-pyridinyl)-3-(piperidine-1-carbonyl)pyrazol-5-yl]phenyl]methyl]carbamate
CID 123706337
tert-butyl N-[2-[4-[3-[methoxy(methyl)carbamoyl]-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethyl]carbamate
CID 58806700
tert-butyl N-[[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methyl]carbamate
CID 91234816
N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]carbamate
CID 21090821
N-ethyl-5-[4-[2-(methanesulfonamido)ethyl]phenyl]-1-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide
CID 58806813
5-[3-(dimethylamino)phenyl]-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid
CID 58970542
N-[[4-[1-(6-methoxy-3-pyridinyl)-3-(piperidine-1-carbonyl)pyrazol-5-yl]phenyl]methyl]ethanesulfonamide
CID 154455929

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(carbamoylamino)ethyl]phenyl]-N-methoxy-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of 5-[4-[2-(carbamoylamino)ethyl]phenyl]-N-methoxy-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide (CID 21090968) is 5-[4-[2-(carbamoylamino)ethyl]phenyl]-N-methoxy-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[4-[2-(carbamoylamino)ethyl]phenyl]-N-methoxy-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-[4-[2-(carbamoylamino)ethyl]phenyl]-N-methoxy-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide is COc1ccc(-n2nc(C(=O)N(C)OC)cc2-c2ccc(CCNC(N)=O)cc2)cn1.
What is the InChIKey of 5-[4-[2-(carbamoylamino)ethyl]phenyl]-N-methoxy-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide?
The InChIKey is CAQFTUGIZYBDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O4/c1-26(31-3)20(28)17-12-18(27(25-17)16-8-9-19(30-2)24-13-16)15-6-4-14(5-7-15)10-11-23-21(22)29/h4-9,12-13H,10-11H2,1-3H3,(H3,22,23,29).
What are the key properties of 5-[4-[2-(carbamoylamino)ethyl]phenyl]-N-methoxy-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide?
5-[4-[2-(carbamoylamino)ethyl]phenyl]-N-methoxy-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(carbamoylamino)ethyl]phenyl]-N-methoxy-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 21090968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).