N-[2-methyl-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]acetamide

C20H25N5O3 — CID 55745131

IUPACN-[2-methyl-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cc(NC(=O)NCc2ccnc(N3CCOCC3)c2)ccc1C
InChIInChI=1S/C20H25N5O3/c1-14-3-4-17(12-18(14)23-15(2)26)24-20(27)22-13-16-5-6-21-19(11-16)25-7-9-28-10-8-25/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26)(H2,22,24,27)
InChIKeyMLZZDWNRZUBYBG-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.51
Rot. Bonds5

About N-[2-methyl-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]acetamide

N-[2-methyl-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]acetamide (PubChem CID 55745131) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[2-methyl-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]acetamide
PubChem CID55745131
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-[2-methyl-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cc(NC(=O)NCc2ccnc(N3CCOCC3)c2)ccc1C
InChIInChI=1S/C20H25N5O3/c1-14-3-4-17(12-18(14)23-15(2)26)24-20(27)22-13-16-5-6-21-19(11-16)25-7-9-28-10-8-25/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26)(H2,22,24,27)
InChIKeyMLZZDWNRZUBYBG-UHFFFAOYSA-N
XLogP2.51
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dichlorophenyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
CID 55697105
3-methyl-N-[4-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]butanamide
CID 55698495
1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea
CID 36506612
2,5-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32585579
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
1-(2-methyl-3-nitrophenyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
CID 47032405
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
2-(2-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]acetamide
CID 32586117
1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
CID 55743484
3-fluoro-4-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32586803
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(3-methylphenyl)urea
CID 46387376
(2S)-2-acetamido-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32584933

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]acetamide?
The IUPAC name of N-[2-methyl-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]acetamide (CID 55745131) is N-[2-methyl-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[2-methyl-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[2-methyl-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]acetamide is CC(=O)Nc1cc(NC(=O)NCc2ccnc(N3CCOCC3)c2)ccc1C.
What is the InChIKey of N-[2-methyl-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]acetamide?
The InChIKey is MLZZDWNRZUBYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-14-3-4-17(12-18(14)23-15(2)26)24-20(27)22-13-16-5-6-21-19(11-16)25-7-9-28-10-8-25/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26)(H2,22,24,27).
What are the key properties of N-[2-methyl-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]acetamide?
N-[2-methyl-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]acetamide has a molecular weight of 383.45 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]acetamide is sourced from PubChem (CID 55745131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).