N-butan-2-yl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide

C20H26N4O2 — CID 109152097

IUPACN-butan-2-yl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1ccc(Nc2ccccc2N2CCOCC2)nc1
InChIInChI=1S/C20H26N4O2/c1-3-15(2)22-20(25)16-8-9-19(21-14-16)23-17-6-4-5-7-18(17)24-10-12-26-13-11-24/h4-9,14-15H,3,10-13H2,1-2H3,(H,21,23)(H,22,25)
InChIKeySDMCNZJFHOCOMQ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.19
Rot. Bonds6

About N-butan-2-yl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide

N-butan-2-yl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide (PubChem CID 109152097) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-butan-2-yl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide
PubChem CID109152097
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-butan-2-yl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1ccc(Nc2ccccc2N2CCOCC2)nc1
InChIInChI=1S/C20H26N4O2/c1-3-15(2)22-20(25)16-8-9-19(21-14-16)23-17-6-4-5-7-18(17)24-10-12-26-13-11-24/h4-9,14-15H,3,10-13H2,1-2H3,(H,21,23)(H,22,25)
InChIKeySDMCNZJFHOCOMQ-UHFFFAOYSA-N
XLogP3.19
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

morpholin-4-yl-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]methanone
CID 109153485
N-butyl-N-methyl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 109161578
2-ethyl-N-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]butanamide
CID 113049816
N-butan-2-yl-4-morpholin-4-ylbenzamide
CID 47147969
6-methyl-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 18148178
6-(4-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 109164747
N-butan-2-yl-6-(methylamino)pyridine-3-carboxamide
CID 62171833
N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]butanamide
CID 113035731
tert-butyl N-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]carbamate
CID 113021128
6-(2-morpholin-4-ylanilino)-N-propylpyridazine-3-carboxamide
CID 109109357
2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide
CID 109264608
N-butan-2-yl-5-morpholin-4-ylpyridine-3-carboxamide
CID 109225123

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide (CID 109152097) is N-butan-2-yl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide is CCC(C)NC(=O)c1ccc(Nc2ccccc2N2CCOCC2)nc1.
What is the InChIKey of N-butan-2-yl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide?
The InChIKey is SDMCNZJFHOCOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-3-15(2)22-20(25)16-8-9-19(21-14-16)23-17-6-4-5-7-18(17)24-10-12-26-13-11-24/h4-9,14-15H,3,10-13H2,1-2H3,(H,21,23)(H,22,25).
What are the key properties of N-butan-2-yl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide?
N-butan-2-yl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109152097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).