3-[[N-ethyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide

C15H25N5O — CID 110970973

IUPAC3-[[N-ethyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide
SMILESCCN/C(=N\Cc1ccccn1)NCCC(=O)NC(C)C
InChIInChI=1S/C15H25N5O/c1-4-16-15(18-10-8-14(21)20-12(2)3)19-11-13-7-5-6-9-17-13/h5-7,9,12H,4,8,10-11H2,1-3H3,(H,20,21)(H2,16,18,19)
InChIKeyLXRXRIVYESRPAG-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.05
Rot. Bonds7

About 3-[[N-ethyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide

3-[[N-ethyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide (PubChem CID 110970973) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-[[N-ethyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[[N-ethyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide
PubChem CID110970973
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name3-[[N-ethyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide
SMILESCCN/C(=N\Cc1ccccn1)NCCC(=O)NC(C)C
InChIInChI=1S/C15H25N5O/c1-4-16-15(18-10-8-14(21)20-12(2)3)19-11-13-7-5-6-9-17-13/h5-7,9,12H,4,8,10-11H2,1-3H3,(H,20,21)(H2,16,18,19)
InChIKeyLXRXRIVYESRPAG-UHFFFAOYSA-N
XLogP1.05
TPSA78.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-ethyl-3-propan-2-yl-2-(pyridin-2-ylmethyl)guanidine
CID 111123683
1-ethyl-3-propyl-2-(pyridin-2-ylmethyl)guanidine
CID 110969500
3-[[N-ethyl-N'-[(2-ethylphenyl)methyl]carbamimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111635413
methyl 6-[[N-ethyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]hexanoate;hydroiodide
CID 110969981
1-ethyl-3-pent-3-enyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111587968
N-butan-2-yl-3-[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]propanamide;hydroiodide
CID 111192051
1-[4-[[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]methyl]phenyl]-3-propan-2-ylurea;hydroiodide
CID 111192459
1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-(pyridin-2-ylmethyl)guanidine
CID 110968286
1-ethyl-3-(2-ethylbutyl)-2-(pyridin-2-ylmethyl)guanidine
CID 111547627
3-[[N-ethyl-N'-[(2-methyl-1,2,4-triazol-3-yl)methyl]carbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 111706163
1-[2-(diethylamino)ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969393
ethyl N-[1-[[N-ethyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]-4-methylpentan-2-yl]carbamate
CID 110970675

Frequently Asked Questions

What is the IUPAC name of 3-[[N-ethyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[[N-ethyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide (CID 110970973) is 3-[[N-ethyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[[N-ethyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[[N-ethyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide is CCN/C(=N\Cc1ccccn1)NCCC(=O)NC(C)C.
What is the InChIKey of 3-[[N-ethyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is LXRXRIVYESRPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-4-16-15(18-10-8-14(21)20-12(2)3)19-11-13-7-5-6-9-17-13/h5-7,9,12H,4,8,10-11H2,1-3H3,(H,20,21)(H2,16,18,19).
What are the key properties of 3-[[N-ethyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide?
3-[[N-ethyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 291.40 g/mol, XLogP of 1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[N-ethyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 110970973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).