2-(dimethylamino)-N-[3-[[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide

C21H32N6O2 — CID 86884913

IUPAC2-(dimethylamino)-N-[3-[[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide
SMILESCc1nn(C)c(N2CCOCC2)c1CNCc1cccc(NC(=O)CN(C)C)c1
InChIInChI=1S/C21H32N6O2/c1-16-19(21(26(4)24-16)27-8-10-29-11-9-27)14-22-13-17-6-5-7-18(12-17)23-20(28)15-25(2)3/h5-7,12,22H,8-11,13-15H2,1-4H3,(H,23,28)
InChIKeyPGROUYKFQZSRLH-UHFFFAOYSA-N
MW400.53 g/mol
LogP1.36
Rot. Bonds8

About 2-(dimethylamino)-N-[3-[[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide

2-(dimethylamino)-N-[3-[[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide (PubChem CID 86884913) has the molecular formula C21H32N6O2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[3-[[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[3-[[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide
PubChem CID86884913
Molecular FormulaC21H32N6O2
Molecular Weight400.53 g/mol
Exact Mass400.26
IUPAC Name2-(dimethylamino)-N-[3-[[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide
SMILESCc1nn(C)c(N2CCOCC2)c1CNCc1cccc(NC(=O)CN(C)C)c1
InChIInChI=1S/C21H32N6O2/c1-16-19(21(26(4)24-16)27-8-10-29-11-9-27)14-22-13-17-6-5-7-18(12-17)23-20(28)15-25(2)3/h5-7,12,22H,8-11,13-15H2,1-4H3,(H,23,28)
InChIKeyPGROUYKFQZSRLH-UHFFFAOYSA-N
XLogP1.36
TPSA74.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(dimethylamino)-N-[3-[[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide with MolForge

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Related Compounds

(1S)-2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]-1-(3-fluorophenyl)ethanol
CID 95138920
2-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-N,5-N-dimethylpyridine-2,5-diamine
CID 154738210
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-(7-ethyl-1H-indol-3-yl)ethanamine
CID 119128944
2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]acetamide
CID 55800468
1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 51105247
2-[(3-methoxyphenyl)methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2404248
N-[3-[[[3-[(2-cyanophenyl)methoxy]phenyl]methylamino]methyl]phenyl]-2-(dimethylamino)acetamide
CID 86903076
2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]-N-(furan-2-ylmethyl)propanamide
CID 119129000
4-bromo-1,3-dimethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide
CID 998824
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]propanamide
CID 55887219
2-(dimethylamino)-N-(3-hydroxyphenyl)acetamide
CID 103846180
N-[3-[[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 55886714

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[3-[[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[3-[[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide (CID 86884913) is 2-(dimethylamino)-N-[3-[[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[3-[[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[3-[[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide is Cc1nn(C)c(N2CCOCC2)c1CNCc1cccc(NC(=O)CN(C)C)c1.
What is the InChIKey of 2-(dimethylamino)-N-[3-[[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide?
The InChIKey is PGROUYKFQZSRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O2/c1-16-19(21(26(4)24-16)27-8-10-29-11-9-27)14-22-13-17-6-5-7-18(12-17)23-20(28)15-25(2)3/h5-7,12,22H,8-11,13-15H2,1-4H3,(H,23,28).
What are the key properties of 2-(dimethylamino)-N-[3-[[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide?
2-(dimethylamino)-N-[3-[[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide has a molecular weight of 400.53 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[3-[[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 86884913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).