4-[(3-amino-3-iminopropyl)-(2-methoxyethyl)amino]-N,N-dimethylpyridine-2-carboxamide

C14H23N5O2 — CID 63286086

IUPAC4-[(3-amino-3-iminopropyl)-(2-methoxyethyl)amino]-N,N-dimethylpyridine-2-carboxamide
SMILES[H]/N=C(\N)CCN(CCOC)c1ccnc(C(=O)N(C)C)c1
InChIInChI=1S/C14H23N5O2/c1-18(2)14(20)12-10-11(4-6-17-12)19(8-9-21-3)7-5-13(15)16/h4,6,10H,5,7-9H2,1-3H3,(H3,15,16)
InChIKeyWZRMYDGOKSBGOU-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.56
Rot. Bonds8

About 4-[(3-amino-3-iminopropyl)-(2-methoxyethyl)amino]-N,N-dimethylpyridine-2-carboxamide

4-[(3-amino-3-iminopropyl)-(2-methoxyethyl)amino]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 63286086) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[(3-amino-3-iminopropyl)-(2-methoxyethyl)amino]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(3-amino-3-iminopropyl)-(2-methoxyethyl)amino]-N,N-dimethylpyridine-2-carboxamide
PubChem CID63286086
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name4-[(3-amino-3-iminopropyl)-(2-methoxyethyl)amino]-N,N-dimethylpyridine-2-carboxamide
SMILES[H]/N=C(\N)CCN(CCOC)c1ccnc(C(=O)N(C)C)c1
InChIInChI=1S/C14H23N5O2/c1-18(2)14(20)12-10-11(4-6-17-12)19(8-9-21-3)7-5-13(15)16/h4,6,10H,5,7-9H2,1-3H3,(H3,15,16)
InChIKeyWZRMYDGOKSBGOU-UHFFFAOYSA-N
XLogP0.56
TPSA95.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-3-iminopropyl)-(2-methoxyethyl)amino]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-[(3-amino-3-iminopropyl)-(2-methoxyethyl)amino]-N,N-dimethylpyridine-2-carboxamide (CID 63286086) is 4-[(3-amino-3-iminopropyl)-(2-methoxyethyl)amino]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(3-amino-3-iminopropyl)-(2-methoxyethyl)amino]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-[(3-amino-3-iminopropyl)-(2-methoxyethyl)amino]-N,N-dimethylpyridine-2-carboxamide is [H]/N=C(\N)CCN(CCOC)c1ccnc(C(=O)N(C)C)c1.
What is the InChIKey of 4-[(3-amino-3-iminopropyl)-(2-methoxyethyl)amino]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is WZRMYDGOKSBGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-18(2)14(20)12-10-11(4-6-17-12)19(8-9-21-3)7-5-13(15)16/h4,6,10H,5,7-9H2,1-3H3,(H3,15,16).
What are the key properties of 4-[(3-amino-3-iminopropyl)-(2-methoxyethyl)amino]-N,N-dimethylpyridine-2-carboxamide?
4-[(3-amino-3-iminopropyl)-(2-methoxyethyl)amino]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-3-iminopropyl)-(2-methoxyethyl)amino]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 63286086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).