2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide

C18H30N6O2 — CID 111369603

IUPAC2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide
SMILESC/N=C(\NCC(=O)Nc1cccnc1)NCC1CN(CC(C)C)CCO1
InChIInChI=1S/C18H30N6O2/c1-14(2)12-24-7-8-26-16(13-24)10-21-18(19-3)22-11-17(25)23-15-5-4-6-20-9-15/h4-6,9,14,16H,7-8,10-13H2,1-3H3,(H,23,25)(H2,19,21,22)
InChIKeyUSDKKQYXLXSIPN-UHFFFAOYSA-N
MW362.48 g/mol
LogP0.54
Rot. Bonds7

About 2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide

2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide (PubChem CID 111369603) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide
PubChem CID111369603
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC Name2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide
SMILESC/N=C(\NCC(=O)Nc1cccnc1)NCC1CN(CC(C)C)CCO1
InChIInChI=1S/C18H30N6O2/c1-14(2)12-24-7-8-26-16(13-24)10-21-18(19-3)22-11-17(25)23-15-5-4-6-20-9-15/h4-6,9,14,16H,7-8,10-13H2,1-3H3,(H,23,25)(H2,19,21,22)
InChIKeyUSDKKQYXLXSIPN-UHFFFAOYSA-N
XLogP0.54
TPSA90.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]acetamide
CID 111368761
N-[2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111369526
N-tert-butyl-2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]acetamide
CID 111369639
3-methyl-N-[3-[[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]methyl]phenyl]butanamide;hydroiodide
CID 111368962
2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]guanidine;hydroiodide
CID 111369580
N-benzyl-N-ethyl-2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111368736
2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide
CID 75424657
2-[[N'-methyl-N-(5-methylhexyl)carbamimidoyl]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111579904
1-(cyclopropylmethyl)-2-methyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111368833
2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(2-phenoxypropyl)guanidine;hydroiodide
CID 111788656
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111369633
2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 111368717

Frequently Asked Questions

What is the IUPAC name of 2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide (CID 111369603) is 2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide is C/N=C(\NCC(=O)Nc1cccnc1)NCC1CN(CC(C)C)CCO1.
What is the InChIKey of 2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide?
The InChIKey is USDKKQYXLXSIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2/c1-14(2)12-24-7-8-26-16(13-24)10-21-18(19-3)22-11-17(25)23-15-5-4-6-20-9-15/h4-6,9,14,16H,7-8,10-13H2,1-3H3,(H,23,25)(H2,19,21,22).
What are the key properties of 2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide?
2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide has a molecular weight of 362.48 g/mol, XLogP of 0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 111369603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).