N-(2-morpholin-4-ylethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide

C22H29N5O2 — CID 109185754

IUPACN-(2-morpholin-4-ylethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc(Nc2ccc(N3CCCC3)cc2)cn1
InChIInChI=1S/C22H29N5O2/c28-22(23-9-12-26-13-15-29-16-14-26)21-8-5-19(17-24-21)25-18-3-6-20(7-4-18)27-10-1-2-11-27/h3-8,17,25H,1-2,9-16H2,(H,23,28)
InChIKeyZBUHSBFUYADQBO-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.49
Rot. Bonds7

About N-(2-morpholin-4-ylethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide

N-(2-morpholin-4-ylethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide (PubChem CID 109185754) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
PubChem CID109185754
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN-(2-morpholin-4-ylethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc(Nc2ccc(N3CCCC3)cc2)cn1
InChIInChI=1S/C22H29N5O2/c28-22(23-9-12-26-13-15-29-16-14-26)21-8-5-19(17-24-21)25-18-3-6-20(7-4-18)27-10-1-2-11-27/h3-8,17,25H,1-2,9-16H2,(H,23,28)
InChIKeyZBUHSBFUYADQBO-UHFFFAOYSA-N
XLogP2.49
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(azepan-1-yl)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109185693
5-(2,6-dichloroanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109185766
N-[2-(dimethylamino)ethyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109185416
5-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109183423
N-(2-morpholin-4-ylethyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273701
5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-2-carboxamide
CID 109179197
5-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109185666
N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
CID 109185060
N-(2-methoxyethyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109183829
N-[(4-methylphenyl)methyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109188702
5-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109199047
5-(4-piperidin-1-ylanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109179591

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide (CID 109185754) is N-(2-morpholin-4-ylethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide is O=C(NCCN1CCOCC1)c1ccc(Nc2ccc(N3CCCC3)cc2)cn1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide?
The InChIKey is ZBUHSBFUYADQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c28-22(23-9-12-26-13-15-29-16-14-26)21-8-5-19(17-24-21)25-18-3-6-20(7-4-18)27-10-1-2-11-27/h3-8,17,25H,1-2,9-16H2,(H,23,28).
What are the key properties of N-(2-morpholin-4-ylethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide?
N-(2-morpholin-4-ylethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109185754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).