1-N'-[4-(aminomethyl)-2-pyridinyl]-1-N'-cyclopropylcyclopropane-1,1-dicarboxamide

C14H18N4O2 — CID 91510208

IUPAC1-N'-[4-(aminomethyl)-2-pyridinyl]-1-N'-cyclopropylcyclopropane-1,1-dicarboxamide
SMILESNCc1ccnc(N(C(=O)C2(C(N)=O)CC2)C2CC2)c1
InChIInChI=1S/C14H18N4O2/c15-8-9-3-6-17-11(7-9)18(10-1-2-10)13(20)14(4-5-14)12(16)19/h3,6-7,10H,1-2,4-5,8,15H2,(H2,16,19)
InChIKeyOQBLKRGXHCGRFV-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.30
Rot. Bonds5

About 1-N'-[4-(aminomethyl)-2-pyridinyl]-1-N'-cyclopropylcyclopropane-1,1-dicarboxamide

1-N'-[4-(aminomethyl)-2-pyridinyl]-1-N'-cyclopropylcyclopropane-1,1-dicarboxamide (PubChem CID 91510208) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-N'-[4-(aminomethyl)-2-pyridinyl]-1-N'-cyclopropylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[4-(aminomethyl)-2-pyridinyl]-1-N'-cyclopropylcyclopropane-1,1-dicarboxamide
PubChem CID91510208
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-N'-[4-(aminomethyl)-2-pyridinyl]-1-N'-cyclopropylcyclopropane-1,1-dicarboxamide
SMILESNCc1ccnc(N(C(=O)C2(C(N)=O)CC2)C2CC2)c1
InChIInChI=1S/C14H18N4O2/c15-8-9-3-6-17-11(7-9)18(10-1-2-10)13(20)14(4-5-14)12(16)19/h3,6-7,10H,1-2,4-5,8,15H2,(H2,16,19)
InChIKeyOQBLKRGXHCGRFV-UHFFFAOYSA-N
XLogP0.30
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N'-[4-(aminomethyl)-2-pyridinyl]-1-N'-cyclopropylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[4-(aminomethyl)-2-pyridinyl]-1-N'-cyclopropylcyclopropane-1,1-dicarboxamide (CID 91510208) is 1-N'-[4-(aminomethyl)-2-pyridinyl]-1-N'-cyclopropylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[4-(aminomethyl)-2-pyridinyl]-1-N'-cyclopropylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[4-(aminomethyl)-2-pyridinyl]-1-N'-cyclopropylcyclopropane-1,1-dicarboxamide is NCc1ccnc(N(C(=O)C2(C(N)=O)CC2)C2CC2)c1.
What is the InChIKey of 1-N'-[4-(aminomethyl)-2-pyridinyl]-1-N'-cyclopropylcyclopropane-1,1-dicarboxamide?
The InChIKey is OQBLKRGXHCGRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c15-8-9-3-6-17-11(7-9)18(10-1-2-10)13(20)14(4-5-14)12(16)19/h3,6-7,10H,1-2,4-5,8,15H2,(H2,16,19).
What are the key properties of 1-N'-[4-(aminomethyl)-2-pyridinyl]-1-N'-cyclopropylcyclopropane-1,1-dicarboxamide?
1-N'-[4-(aminomethyl)-2-pyridinyl]-1-N'-cyclopropylcyclopropane-1,1-dicarboxamide has a molecular weight of 274.32 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[4-(aminomethyl)-2-pyridinyl]-1-N'-cyclopropylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 91510208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).