1-[[[N-ethyl-N'-[2-oxo-2-(pyridin-3-ylamino)ethyl]carbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

C19H30N6O2 — CID 111569771

IUPAC1-[[[N-ethyl-N'-[2-oxo-2-(pyridin-3-ylamino)ethyl]carbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESCCN/C(=N\CC(=O)Nc1cccnc1)NCC1(C(=O)N(C)C)CCCC1
InChIInChI=1S/C19H30N6O2/c1-4-21-18(22-13-16(26)24-15-8-7-11-20-12-15)23-14-19(9-5-6-10-19)17(27)25(2)3/h7-8,11-12H,4-6,9-10,13-14H2,1-3H3,(H,24,26)(H2,21,22,23)
InChIKeyDMYCBBYJSORWGX-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.22
Rot. Bonds7

About 1-[[[N-ethyl-N'-[2-oxo-2-(pyridin-3-ylamino)ethyl]carbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

1-[[[N-ethyl-N'-[2-oxo-2-(pyridin-3-ylamino)ethyl]carbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (PubChem CID 111569771) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-[[[N-ethyl-N'-[2-oxo-2-(pyridin-3-ylamino)ethyl]carbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[[[N-ethyl-N'-[2-oxo-2-(pyridin-3-ylamino)ethyl]carbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
PubChem CID111569771
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC Name1-[[[N-ethyl-N'-[2-oxo-2-(pyridin-3-ylamino)ethyl]carbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESCCN/C(=N\CC(=O)Nc1cccnc1)NCC1(C(=O)N(C)C)CCCC1
InChIInChI=1S/C19H30N6O2/c1-4-21-18(22-13-16(26)24-15-8-7-11-20-12-15)23-14-19(9-5-6-10-19)17(27)25(2)3/h7-8,11-12H,4-6,9-10,13-14H2,1-3H3,(H,24,26)(H2,21,22,23)
InChIKeyDMYCBBYJSORWGX-UHFFFAOYSA-N
XLogP1.22
TPSA98.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

1-[[[N-ethyl-N'-[2-(3-fluoroanilino)-2-oxoethyl]carbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111570221
1-[[[N-ethyl-N'-[2-(4-fluoroanilino)-2-oxoethyl]carbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111570612
1-[[[N-ethyl-N'-[2-oxo-2-(propylamino)ethyl]carbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111569735
2-[[ethylamino-(propan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111127008
2-[[ethylamino-(prop-2-enylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 110981371
2-[[[2-(4-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111196132
2-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111648744
2-[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111191237
2-[[ethylamino-(6-methylheptan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111173723
2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111234473
1-[[[N'-[[6-(diethylamino)-3-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111572063
2-[[ethylamino-[2-(4-methylphenoxy)ethylamino]methylidene]amino]-N-pyridin-3-ylacetamide
CID 111276475

Frequently Asked Questions

What is the IUPAC name of 1-[[[N-ethyl-N'-[2-oxo-2-(pyridin-3-ylamino)ethyl]carbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The IUPAC name of 1-[[[N-ethyl-N'-[2-oxo-2-(pyridin-3-ylamino)ethyl]carbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (CID 111569771) is 1-[[[N-ethyl-N'-[2-oxo-2-(pyridin-3-ylamino)ethyl]carbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-[[[N-ethyl-N'-[2-oxo-2-(pyridin-3-ylamino)ethyl]carbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for 1-[[[N-ethyl-N'-[2-oxo-2-(pyridin-3-ylamino)ethyl]carbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is CCN/C(=N\CC(=O)Nc1cccnc1)NCC1(C(=O)N(C)C)CCCC1.
What is the InChIKey of 1-[[[N-ethyl-N'-[2-oxo-2-(pyridin-3-ylamino)ethyl]carbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The InChIKey is DMYCBBYJSORWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2/c1-4-21-18(22-13-16(26)24-15-8-7-11-20-12-15)23-14-19(9-5-6-10-19)17(27)25(2)3/h7-8,11-12H,4-6,9-10,13-14H2,1-3H3,(H,24,26)(H2,21,22,23).
What are the key properties of 1-[[[N-ethyl-N'-[2-oxo-2-(pyridin-3-ylamino)ethyl]carbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
1-[[[N-ethyl-N'-[2-oxo-2-(pyridin-3-ylamino)ethyl]carbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[N-ethyl-N'-[2-oxo-2-(pyridin-3-ylamino)ethyl]carbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 111569771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).