3-methyl-N-[4-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]butanamide

C22H29N5O3 — CID 55698495

IUPAC3-methyl-N-[4-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)NCc2ccnc(N3CCOCC3)c2)cc1
InChIInChI=1S/C22H29N5O3/c1-16(2)13-21(28)25-18-3-5-19(6-4-18)26-22(29)24-15-17-7-8-23-20(14-17)27-9-11-30-12-10-27/h3-8,14,16H,9-13,15H2,1-2H3,(H,25,28)(H2,24,26,29)
InChIKeyNEQPSIOOHIWCGR-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.22
Rot. Bonds7

About 3-methyl-N-[4-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]butanamide

3-methyl-N-[4-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]butanamide (PubChem CID 55698495) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 3-methyl-N-[4-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]butanamide
PubChem CID55698495
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name3-methyl-N-[4-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)NCc2ccnc(N3CCOCC3)c2)cc1
InChIInChI=1S/C22H29N5O3/c1-16(2)13-21(28)25-18-3-5-19(6-4-18)26-22(29)24-15-17-7-8-23-20(14-17)27-9-11-30-12-10-27/h3-8,14,16H,9-13,15H2,1-2H3,(H,25,28)(H2,24,26,29)
InChIKeyNEQPSIOOHIWCGR-UHFFFAOYSA-N
XLogP3.22
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[4-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]butanamide with MolForge

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Related Compounds

1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea
CID 36506612
1-(3,5-dichlorophenyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
CID 55697105
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
N-[2-methyl-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]acetamide
CID 55745131
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
(2S)-2-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 94068233
1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[(3S)-3-phenylbutyl]urea
CID 52518727
1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 36974773
(2S)-2-acetamido-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32584933
1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
CID 71893294
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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]butanamide (CID 55698495) is 3-methyl-N-[4-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]butanamide is CC(C)CC(=O)Nc1ccc(NC(=O)NCc2ccnc(N3CCOCC3)c2)cc1.
What is the InChIKey of 3-methyl-N-[4-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]butanamide?
The InChIKey is NEQPSIOOHIWCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-16(2)13-21(28)25-18-3-5-19(6-4-18)26-22(29)24-15-17-7-8-23-20(14-17)27-9-11-30-12-10-27/h3-8,14,16H,9-13,15H2,1-2H3,(H,25,28)(H2,24,26,29).
What are the key properties of 3-methyl-N-[4-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]butanamide?
3-methyl-N-[4-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]butanamide has a molecular weight of 411.51 g/mol, XLogP of 3.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]butanamide is sourced from PubChem (CID 55698495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).