N-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclopropanecarboxamide

C12H18N4O — CID 82331648

IUPACN-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclopropanecarboxamide
SMILESNc1ccc(NCCCNC(=O)C2CC2)cn1
InChIInChI=1S/C12H18N4O/c13-11-5-4-10(8-16-11)14-6-1-7-15-12(17)9-2-3-9/h4-5,8-9,14H,1-3,6-7H2,(H2,13,16)(H,15,17)
InChIKeyLTTRXINVDCXXIS-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.99
Rot. Bonds6

About N-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclopropanecarboxamide

N-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclopropanecarboxamide (PubChem CID 82331648) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclopropanecarboxamide
PubChem CID82331648
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclopropanecarboxamide
SMILESNc1ccc(NCCCNC(=O)C2CC2)cn1
InChIInChI=1S/C12H18N4O/c13-11-5-4-10(8-16-11)14-6-1-7-15-12(17)9-2-3-9/h4-5,8-9,14H,1-3,6-7H2,(H2,13,16)(H,15,17)
InChIKeyLTTRXINVDCXXIS-UHFFFAOYSA-N
XLogP0.99
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclopropanecarboxamide (CID 82331648) is N-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclopropanecarboxamide is Nc1ccc(NCCCNC(=O)C2CC2)cn1.
What is the InChIKey of N-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclopropanecarboxamide?
The InChIKey is LTTRXINVDCXXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-11-5-4-10(8-16-11)14-6-1-7-15-12(17)9-2-3-9/h4-5,8-9,14H,1-3,6-7H2,(H2,13,16)(H,15,17).
What are the key properties of N-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclopropanecarboxamide?
N-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclopropanecarboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclopropanecarboxamide is sourced from PubChem (CID 82331648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).