4-[2-aminoethyl(ethyl)amino]-N-methylpyridine-2-carboxamide

C11H18N4O — CID 63765132

IUPAC4-[2-aminoethyl(ethyl)amino]-N-methylpyridine-2-carboxamide
SMILESCCN(CCN)c1ccnc(C(=O)NC)c1
InChIInChI=1S/C11H18N4O/c1-3-15(7-5-12)9-4-6-14-10(8-9)11(16)13-2/h4,6,8H,3,5,7,12H2,1-2H3,(H,13,16)
InChIKeyKKCCDJBJOBIBNK-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.23
Rot. Bonds5

About 4-[2-aminoethyl(ethyl)amino]-N-methylpyridine-2-carboxamide

4-[2-aminoethyl(ethyl)amino]-N-methylpyridine-2-carboxamide (PubChem CID 63765132) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[2-aminoethyl(ethyl)amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-aminoethyl(ethyl)amino]-N-methylpyridine-2-carboxamide
PubChem CID63765132
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-[2-aminoethyl(ethyl)amino]-N-methylpyridine-2-carboxamide
SMILESCCN(CCN)c1ccnc(C(=O)NC)c1
InChIInChI=1S/C11H18N4O/c1-3-15(7-5-12)9-4-6-14-10(8-9)11(16)13-2/h4,6,8H,3,5,7,12H2,1-2H3,(H,13,16)
InChIKeyKKCCDJBJOBIBNK-UHFFFAOYSA-N
XLogP0.23
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-aminoethyl(ethyl)amino]-N,N-diethylpyridine-2-carboxamide
CID 63765883
4-[2-aminoethyl(pentan-3-yl)amino]-N-methylpyridine-2-carboxamide
CID 63761416
4-[2-hydroxyethyl(propyl)amino]-N-methylpyridine-2-carboxamide
CID 61425976
4-[butyl(2-hydroxyethyl)amino]-N-methylpyridine-2-carboxamide
CID 61447985
4-[3-aminopropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide
CID 43517704
4-[2-aminoethyl(butyl)amino]-N,N-diethylpyridine-2-carboxamide
CID 63764911
N-cyclopropyl-4-(diethylamino)pyridine-2-carboxamide
CID 109201751
4-[(3-amino-3-iminopropyl)-ethylamino]-N-ethylpyridine-2-carboxamide
CID 54993134
4-(diethylamino)-N-pentylpyridine-2-carboxamide
CID 109216501
4-(diethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109216613
methyl 4-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-2-carboxylate
CID 66285535
4-[3-hydroxypropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide
CID 61147334

Frequently Asked Questions

What is the IUPAC name of 4-[2-aminoethyl(ethyl)amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-aminoethyl(ethyl)amino]-N-methylpyridine-2-carboxamide (CID 63765132) is 4-[2-aminoethyl(ethyl)amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-aminoethyl(ethyl)amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-aminoethyl(ethyl)amino]-N-methylpyridine-2-carboxamide is CCN(CCN)c1ccnc(C(=O)NC)c1.
What is the InChIKey of 4-[2-aminoethyl(ethyl)amino]-N-methylpyridine-2-carboxamide?
The InChIKey is KKCCDJBJOBIBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-15(7-5-12)9-4-6-14-10(8-9)11(16)13-2/h4,6,8H,3,5,7,12H2,1-2H3,(H,13,16).
What are the key properties of 4-[2-aminoethyl(ethyl)amino]-N-methylpyridine-2-carboxamide?
4-[2-aminoethyl(ethyl)amino]-N-methylpyridine-2-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-aminoethyl(ethyl)amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 63765132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).