N-[2-[[ethylamino-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide

C20H34N6O — CID 111990343

IUPACN-[2-[[ethylamino-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide
SMILESCCN/C(=N\CCNC(=O)C(C)C)NC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C20H34N6O/c1-4-21-20(24-12-11-23-19(27)16(2)3)25-17-8-13-26(14-9-17)15-18-7-5-6-10-22-18/h5-7,10,16-17H,4,8-9,11-15H2,1-3H3,(H,23,27)(H2,21,24,25)
InChIKeySKXYNHULNJFYEV-UHFFFAOYSA-N
MW374.53 g/mol
LogP1.37
Rot. Bonds8

About N-[2-[[ethylamino-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide

N-[2-[[ethylamino-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide (PubChem CID 111990343) has the molecular formula C20H34N6O and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[2-[[ethylamino-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[[ethylamino-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide
PubChem CID111990343
Molecular FormulaC20H34N6O
Molecular Weight374.53 g/mol
Exact Mass374.28
IUPAC NameN-[2-[[ethylamino-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide
SMILESCCN/C(=N\CCNC(=O)C(C)C)NC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C20H34N6O/c1-4-21-20(24-12-11-23-19(27)16(2)3)25-17-8-13-26(14-9-17)15-18-7-5-6-10-22-18/h5-7,10,16-17H,4,8-9,11-15H2,1-3H3,(H,23,27)(H2,21,24,25)
InChIKeySKXYNHULNJFYEV-UHFFFAOYSA-N
XLogP1.37
TPSA81.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-(naphthalen-1-ylmethyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine
CID 111978008
N-[2-[[[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide
CID 111989677
N-[2-[[[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide
CID 111994673
1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine
CID 109405017
1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 109405016
1-ethyl-2-[3-(1H-indol-3-yl)propyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine
CID 111984261
4-(2-methylpropanoylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858736
1-cyclopropyl-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 110988442
N-[2-[[[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111992910
N-[2-[[[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111989722
N-[2-[[ethylamino-[(1-phenylpyrrolidin-3-yl)amino]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111910648
1-(2-hydroxy-2,3-dimethylbutyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 111120941

Frequently Asked Questions

What is the IUPAC name of N-[2-[[ethylamino-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[[ethylamino-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide (CID 111990343) is N-[2-[[ethylamino-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[[ethylamino-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[[ethylamino-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide is CCN/C(=N\CCNC(=O)C(C)C)NC1CCN(Cc2ccccn2)CC1.
What is the InChIKey of N-[2-[[ethylamino-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide?
The InChIKey is SKXYNHULNJFYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N6O/c1-4-21-20(24-12-11-23-19(27)16(2)3)25-17-8-13-26(14-9-17)15-18-7-5-6-10-22-18/h5-7,10,16-17H,4,8-9,11-15H2,1-3H3,(H,23,27)(H2,21,24,25).
What are the key properties of N-[2-[[ethylamino-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide?
N-[2-[[ethylamino-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide has a molecular weight of 374.53 g/mol, XLogP of 1.37, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[ethylamino-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 111990343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).