6-(3-methoxyanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide

C22H29N3O3 — CID 44569924

IUPAC6-(3-methoxyanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
SMILESCOc1cccc(Nc2cc(C(C)C)c(C(=O)NCC3CCOCC3)cn2)c1
InChIInChI=1S/C22H29N3O3/c1-15(2)19-12-21(25-17-5-4-6-18(11-17)27-3)23-14-20(19)22(26)24-13-16-7-9-28-10-8-16/h4-6,11-12,14-16H,7-10,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyDTTXZMKBEUKZIH-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.11
Rot. Bonds7

About 6-(3-methoxyanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide

6-(3-methoxyanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide (PubChem CID 44569924) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 6-(3-methoxyanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-methoxyanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
PubChem CID44569924
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name6-(3-methoxyanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
SMILESCOc1cccc(Nc2cc(C(C)C)c(C(=O)NCC3CCOCC3)cn2)c1
InChIInChI=1S/C22H29N3O3/c1-15(2)19-12-21(25-17-5-4-6-18(11-17)27-3)23-14-20(19)22(26)24-13-16-7-9-28-10-8-16/h4-6,11-12,14-16H,7-10,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyDTTXZMKBEUKZIH-UHFFFAOYSA-N
XLogP4.11
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxan-4-ylmethyl)-4-propan-2-yl-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide
CID 58731842
6-(4-fluoro-3-methylanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731720
6-(3-chloro-4-cyanoanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44570015
6-(2-chloro-5-methylanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731732
6-(3-chloro-4-methylanilino)-N-(cyclopropylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 59842343
6-[2-methyl-5-(trifluoromethyl)anilino]-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731811
6-[(3,7-dichlorocyclohepta-1,6-dien-1-yl)amino]-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 142877799
6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide
CID 10047143
6-(3-chloroanilino)-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44570165
6-(3-cyano-4-fluoroanilino)-N-[(2-oxooxan-4-yl)methyl]-4-propan-2-ylpyridine-3-carboxamide
CID 69371491
6-(2-chloro-5-fluoroanilino)-N-[(2-oxooxan-4-yl)methyl]-4-propan-2-ylpyridine-3-carboxamide
CID 69369776
6-[2-bromo-4-(trifluoromethoxy)anilino]-N-(cyclobutylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731844

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-(3-methoxyanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide (CID 44569924) is 6-(3-methoxyanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3-methoxyanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-(3-methoxyanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide is COc1cccc(Nc2cc(C(C)C)c(C(=O)NCC3CCOCC3)cn2)c1.
What is the InChIKey of 6-(3-methoxyanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide?
The InChIKey is DTTXZMKBEUKZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-15(2)19-12-21(25-17-5-4-6-18(11-17)27-3)23-14-20(19)22(26)24-13-16-7-9-28-10-8-16/h4-6,11-12,14-16H,7-10,13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 6-(3-methoxyanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide?
6-(3-methoxyanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 44569924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).