4-(cyclohexylcarbamoylamino)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]butanamide

C21H33N5O3 — CID 16615005

IUPAC4-(cyclohexylcarbamoylamino)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]butanamide
SMILESO=C(CCCNC(=O)NC1CCCCC1)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C21H33N5O3/c27-20(7-4-10-22-21(28)25-18-5-2-1-3-6-18)24-16-17-8-9-19(23-15-17)26-11-13-29-14-12-26/h8-9,15,18H,1-7,10-14,16H2,(H,24,27)(H2,22,25,28)
InChIKeyJVOCUNVKHPMSDP-UHFFFAOYSA-N
MW403.53 g/mol
LogP1.95
Rot. Bonds8

About 4-(cyclohexylcarbamoylamino)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]butanamide

4-(cyclohexylcarbamoylamino)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]butanamide (PubChem CID 16615005) has the molecular formula C21H33N5O3 and a molecular weight of 403.53 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]butanamide.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]butanamide
PubChem CID16615005
Molecular FormulaC21H33N5O3
Molecular Weight403.53 g/mol
Exact Mass403.26
IUPAC Name4-(cyclohexylcarbamoylamino)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]butanamide
SMILESO=C(CCCNC(=O)NC1CCCCC1)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C21H33N5O3/c27-20(7-4-10-22-21(28)25-18-5-2-1-3-6-18)24-16-17-8-9-19(23-15-17)26-11-13-29-14-12-26/h8-9,15,18H,1-7,10-14,16H2,(H,24,27)(H2,22,25,28)
InChIKeyJVOCUNVKHPMSDP-UHFFFAOYSA-N
XLogP1.95
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
CID 43167979
1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-(2-oxoazepan-3-yl)urea
CID 51084089
3-(cyclohexylcarbamoylamino)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 16622915
2-(4-aminophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide;dihydrochloride
CID 119839439
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38938009
N-[[4-(butanoylamino)phenyl]methyl]-4-(cyclohexylcarbamoylamino)butanamide
CID 60515741
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide
CID 38528657
4-amino-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride
CID 119399617
4-chloro-N-[4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]butyl]benzamide
CID 37482931
4-(cyclohexylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide
CID 18146757
3-(1,3-benzodioxol-5-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 17489922
1-[2-(cyclohexen-1-yl)ethyl]-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 41224373

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]butanamide?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]butanamide (CID 16615005) is 4-(cyclohexylcarbamoylamino)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]butanamide.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]butanamide?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]butanamide is O=C(CCCNC(=O)NC1CCCCC1)NCc1ccc(N2CCOCC2)nc1.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]butanamide?
The InChIKey is JVOCUNVKHPMSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O3/c27-20(7-4-10-22-21(28)25-18-5-2-1-3-6-18)24-16-17-8-9-19(23-15-17)26-11-13-29-14-12-26/h8-9,15,18H,1-7,10-14,16H2,(H,24,27)(H2,22,25,28).
What are the key properties of 4-(cyclohexylcarbamoylamino)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]butanamide?
4-(cyclohexylcarbamoylamino)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]butanamide has a molecular weight of 403.53 g/mol, XLogP of 1.95, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]butanamide is sourced from PubChem (CID 16615005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).