N-[(E)-3-aminopropylideneamino]pyridine-2-carboxamide;ethane

C11H18N4O — CID 142936010

IUPACN-[(E)-3-aminopropylideneamino]pyridine-2-carboxamide;ethane
SMILESCC.NCC/C=N/NC(=O)c1ccccn1
InChIInChI=1S/C9H12N4O.C2H6/c10-5-3-7-12-13-9(14)8-4-1-2-6-11-8;1-2/h1-2,4,6-7H,3,5,10H2,(H,13,14);1-2H3/b12-7+;
InChIKeyMKSGBRUTRFLADD-RRAJOLSVSA-N
MW222.29 g/mol
LogP1.17
Rot. Bonds4

About N-[(E)-3-aminopropylideneamino]pyridine-2-carboxamide;ethane

N-[(E)-3-aminopropylideneamino]pyridine-2-carboxamide;ethane (PubChem CID 142936010) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[(E)-3-aminopropylideneamino]pyridine-2-carboxamide;ethane.

Molecular Properties

Compound NameN-[(E)-3-aminopropylideneamino]pyridine-2-carboxamide;ethane
PubChem CID142936010
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-[(E)-3-aminopropylideneamino]pyridine-2-carboxamide;ethane
SMILESCC.NCC/C=N/NC(=O)c1ccccn1
InChIInChI=1S/C9H12N4O.C2H6/c10-5-3-7-12-13-9(14)8-4-1-2-6-11-8;1-2/h1-2,4,6-7H,3,5,10H2,(H,13,14);1-2H3/b12-7+;
InChIKeyMKSGBRUTRFLADD-RRAJOLSVSA-N
XLogP1.17
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(dimethylaminomethylideneamino)pyridine-2-carboxamide
CID 174940489
N-[(2-fluorophenyl)methylideneamino]pyridine-2-carboxamide
CID 847584
N-[(E)-3-(1-benzylpiperidin-4-yl)propylideneamino]pyridine-2-carboxamide
CID 155674228
N-[(Z)-[(2R)-2-phenylbutylidene]amino]pyridine-2-carboxamide
CID 40537943
3-amino-1-pyridin-2-ylpropan-1-one
CID 45079500
N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide
CID 760228
N-[[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]pyridine-2-carboxamide
CID 3108542
N-[(Z)-[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]pyridine-2-carboxamide
CID 7346885
N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide
CID 139068920
N-[(Z)-(3-ethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 40618803
N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]pyridine-2-carboxamide
CID 139165605
N-[(2-chloro-6-fluorophenyl)methylideneamino]pyridine-2-carboxamide
CID 847586

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-aminopropylideneamino]pyridine-2-carboxamide;ethane?
The IUPAC name of N-[(E)-3-aminopropylideneamino]pyridine-2-carboxamide;ethane (CID 142936010) is N-[(E)-3-aminopropylideneamino]pyridine-2-carboxamide;ethane.
What is the SMILES notation for N-[(E)-3-aminopropylideneamino]pyridine-2-carboxamide;ethane?
The canonical SMILES for N-[(E)-3-aminopropylideneamino]pyridine-2-carboxamide;ethane is CC.NCC/C=N/NC(=O)c1ccccn1.
What is the InChIKey of N-[(E)-3-aminopropylideneamino]pyridine-2-carboxamide;ethane?
The InChIKey is MKSGBRUTRFLADD-RRAJOLSVSA-N. The full InChI is InChI=1S/C9H12N4O.C2H6/c10-5-3-7-12-13-9(14)8-4-1-2-6-11-8;1-2/h1-2,4,6-7H,3,5,10H2,(H,13,14);1-2H3/b12-7+;.
What are the key properties of N-[(E)-3-aminopropylideneamino]pyridine-2-carboxamide;ethane?
N-[(E)-3-aminopropylideneamino]pyridine-2-carboxamide;ethane has a molecular weight of 222.29 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-aminopropylideneamino]pyridine-2-carboxamide;ethane is sourced from PubChem (CID 142936010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).