4-N-[2-(dimethylamino)ethyl]-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide

C21H27N5O2 — CID 109083518

IUPAC4-N-[2-(dimethylamino)ethyl]-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide
SMILESCN(C)CCNC(=O)c1ccnc(C(=O)Nc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C21H27N5O2/c1-25(2)14-11-23-20(27)16-9-10-22-19(15-16)21(28)24-17-5-7-18(8-6-17)26-12-3-4-13-26/h5-10,15H,3-4,11-14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyVXBAZYYCKJDHBF-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.23
Rot. Bonds7

About 4-N-[2-(dimethylamino)ethyl]-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide

4-N-[2-(dimethylamino)ethyl]-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109083518) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide
PubChem CID109083518
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name4-N-[2-(dimethylamino)ethyl]-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide
SMILESCN(C)CCNC(=O)c1ccnc(C(=O)Nc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C21H27N5O2/c1-25(2)14-11-23-20(27)16-9-10-22-19(15-16)21(28)24-17-5-7-18(8-6-17)26-12-3-4-13-26/h5-10,15H,3-4,11-14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyVXBAZYYCKJDHBF-UHFFFAOYSA-N
XLogP2.23
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-N-[2-(dimethylamino)ethyl]-3-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109053246
N-[2-(dimethylamino)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203811
4-N,4-N-diethyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide
CID 109088853
3-N-[2-(dimethylamino)ethyl]-5-N-(4-piperidin-1-ylphenyl)pyridine-3,5-dicarboxamide
CID 109104148
4-N-[2-(dimethylamino)ethyl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109083508
N-(4-piperidin-1-ylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080459
4-N-butyl-2-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2,4-dicarboxamide
CID 109079331
4-(azepane-1-carbonyl)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109083611
N-[2-(dimethylamino)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide
CID 109167751
N-[2-(dimethylamino)ethyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109185416
N-[2-(dimethylamino)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109344367
2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079711

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide (CID 109083518) is 4-N-[2-(dimethylamino)ethyl]-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide is CN(C)CCNC(=O)c1ccnc(C(=O)Nc2ccc(N3CCCC3)cc2)c1.
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is VXBAZYYCKJDHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-25(2)14-11-23-20(27)16-9-10-22-19(15-16)21(28)24-17-5-7-18(8-6-17)26-12-3-4-13-26/h5-10,15H,3-4,11-14H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide?
4-N-[2-(dimethylamino)ethyl]-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)ethyl]-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109083518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).